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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c21-19-13-17(9-8-16(19)14-22)23-20(25)15-6-5-7-18(12-15)28(26,27)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11H2,(H,23,25)