1-(3-ethanoylphenyl)sulfonyl-N-(2-oxidanylideneazepan-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3-ethanoylphenyl)sulfonyl-N-(2-oxidanylideneazepan-3-yl)piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(2-oxo-3-azepanyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(2-ketoazepan-3-yl)isonipecotamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C20H27N3O5S/c1-14(24)16-5-4-6-17(13-16)29(27,28)23-11-8-15(9-12-23)19(25)22-18-7-2-3-10-21-20(18)26/h4-6,13,15,18H,2-3,7-12H2,1H3,(H,21,26)(H,22,25)