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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-4-(benzenesulfonamidomethyl)cyclohexanecarboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-4-(benzenesulfonamidomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-4-(benzenesulfonamidomethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-4-(benzenesulfonamidomethyl)cyclohexanecarboxamide Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H35N3O4S/c1-18(23(28)26-15-7-2-3-8-16-26)25-22(27)20-13-11-19(12-14-20)17-24-31(29,30)21-9-5-4-6-10-21/h4-6,9-10,18-20,24H,2-3,7-8,11-17H2,1H3,(H,25,27)/t18-,19?,20?/m0/s1