N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-4-(benzenesulfonamidomethyl)cyclohexanecarboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-4-(benzenesulfonamidomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-(benzenesulfonamidomethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-4-(benzenesulfonamidomethyl)cyclohexanecarboxamide Formula: C25H39N3O4S MolecularWeight: 477.65986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O4S/c1-19(2)23(25(30)28-16-8-3-4-9-17-28)27-24(29)21-14-12-20(13-15-21)18-26-33(31,32)22-10-6-5-7-11-22/h5-7,10-11,19-21,23,26H,3-4,8-9,12-18H2,1-2H3,(H,27,29)/t20?,21?,23-/m0/s1