3-cyano-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzenesulfonamide Openeye Name: 3-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide CAS Name: 3-cyano-N-[3-(2-oxo-1-azepanyl)propyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide Traditional Name: 3-cyano-N-[3-(2-ketoazepan-1-yl)propyl]benzenesulfonamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H21N3O3S/c17-13-14-6-4-7-15(12-14)23(21,22)18-9-5-11-19-10-3-1-2-8-16(19)20/h4,6-7,12,18H,1-3,5,8-11H2