4-cyano-N-(2-methylpropyl)-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-cyano-N-(2-methylpropyl)-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-cyano-N-isobutyl-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-cyano-N-(2-methylpropyl)-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-cyano-N-(2-methylpropyl)-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-cyano-N-isobutyl-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23N3O3S/c1-13(2)12-20(16-5-3-4-10-19-17(16)21)24(22,23)15-8-6-14(11-18)7-9-15/h6-9,13,16H,3-5,10,12H2,1-2H3,(H,19,21)