N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(benzenesulfonamidomethyl)cyclohexanecarboxamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-(benzenesulfonamidomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-(benzenesulfonamidomethyl)cyclohexane-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-(benzenesulfonamidomethyl)cyclohexanecarboxamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H33N3O4S/c26-21(25-14-6-1-2-7-15-25)17-23-22(27)19-12-10-18(11-13-19)16-24-30(28,29)20-8-4-3-5-9-20/h3-5,8-9,18-19,24H,1-2,6-7,10-17H2,(H,23,27)