3-(azepan-1-ylcarbonyl)-N-(2-cyanoethyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-cyanoethyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-cyanoethyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H21N3O3S/c17-9-6-10-18-23(21,22)15-8-5-7-14(13-15)16(20)19-11-3-1-2-4-12-19/h5,7-8,13,18H,1-4,6,10-12H2