4-chloro-N-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (Q27220385)

CHEMBL2355647 (English)

4-chloro-N-[(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

11 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3R,9S,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄Cl₃N₃O₆S

1 reference

CHEMBL2355647 (English)

11 October 2016

canonical SMILES

CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl

1 reference

CHEMBL2355647 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl

1 reference

CHEMBL2355647 (English)

InChI=1S/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24+,25-,34+/m1/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2355647 (English)

ORTMWWQHMCADOR-NSNSFMLXSA-N

11 October 2016

InChIKey

2 references

CHEMBL2355647 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-Chloro-N-{(2R,8R,9R)-8-{[(3,4-dichlorobenzyl)(methyl)amino]methyl}-11-[(2S)-1-hydroxy-2-propanyl]-2,9-dimethyl-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl}benz (English)

11 October 2016

1 reference

CHEMBL2355647 (English)

11 October 2016

ChEBI ID

127692

mapping relation type

1 reference

4-chloro-N-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (English)

11 October 2016

1 reference