2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile (Q27467321)

CHEMBL601500 (English)

19 October 2016

chemical formula

C₂₀H₂₂ClN₃O₂S

1 reference

CHEMBL601500 (English)

19 October 2016

canonical SMILES

CC1=CC=CC=C1CN(C2CCN(C2)S(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

1 reference

CHEMBL601500 (English)

19 October 2016

isomeric SMILES

CC1=CC=CC=C1CN([C@H]2CCN(C2)S(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

1 reference

CHEMBL601500 (English)

InChI=1S/C20H22ClN3O2S/c1-15-5-3-4-6-17(15)13-24(18-8-7-16(12-22)20(21)11-18)19-9-10-23(14-19)27(2,25)26/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL601500 (English)

OTRAFCFYTZJLKH-IBGZPJMESA-N

19 October 2016

InChIKey

1 reference

CHEMBL601500 (English)

19 October 2016

1 reference

2-Chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)-3-pyrrolidinyl]amino}benzonitrile (English)

19 October 2016

1 reference

CHEMBL601500 (English)

19 October 2016

1 reference

CHEMBL601500 (English)

19 October 2016

1 reference

0 references

1 reference

3KBA (English)