3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3-chloranyl-4-cyano-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3-chloranyl-4-cyano-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-chloro-4-cyano-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-chloro-4-cyano-phenyl)benzamide Formula: C20H19Cl2N3O3S MolecularWeight: 452.35416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3S/c21-17-8-6-14(20(26)24-16-7-5-15(13-23)18(22)12-16)11-19(17)29(27,28)25-9-3-1-2-4-10-25/h5-8,11-12H,1-4,9-10H2,(H,24,26)