3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-cyanophenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-cyanophenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanophenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2-cyanophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanophenyl)benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C#N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-17-10-9-15(20(25)23-18-8-4-3-7-16(18)14-22)13-19(17)28(26,27)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,25)