4-chloranyl-N-[(2-cyanophenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2-cyanophenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(2-cyanophenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(2-cyanophenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(2-cyanophenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-cyanobenzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-17-8-10-18(11-9-17)28(26,27)24(19-7-3-4-12-23-20(19)25)14-16-6-2-1-5-15(16)13-22/h1-2,5-6,8-11,19H,3-4,7,12,14H2,(H,23,25)