(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate (Q27096817)

CHEMBL408967 (English)

19 October 2016

chemical formula

C₂₁H₂₈N₂O₄S

1 reference

CHEMBL408967 (English)

19 October 2016

canonical SMILES

CC12CCC3C(C1CCC2CC#N)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

1 reference

CHEMBL408967 (English)

19 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CC#N)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

1 reference

CHEMBL408967 (English)

InChI=1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL408967 (English)

NTSPHKOMJMBWOU-NNKXXINSSA-N

19 October 2016

InChIKey

1 reference

CHEMBL408967 (English)

19 October 2016

1 reference

2-Methoxy-21-nitrilo-19-norpregna-1(10),2,4-trien-3-yl sulfamate (English)

19 October 2016

2 references

CHEMBL408967 (English)

matched by identifier from

19 October 2016

InChIKey

NTSPHKOMJMBWOU-NNKXXINSSA-N

1 reference

matched by identifier from

CHEMBL408967 (English)

19 October 2016

1 reference

1 reference

InChIKey

NTSPHKOMJMBWOU-NNKXXINSSA-N

0 references

0 references

1 reference

3BET (English)