[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC1=CCCCC1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CCCCC1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5S/c1-16(2)20(23-29(26,27)18-11-7-4-8-12-18)21(25)28-15-19(24)22-14-13-17-9-5-3-6-10-17/h4,7-9,11-12,16,20,23H,3,5-6,10,13-15H2,1-2H3,(H,22,24)/t20-/m0/s1