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

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-16(2)20(24-30(27,28)19-12-8-5-9-13-19)22(26)29-17(3)21(25)23-15-14-18-10-6-4-7-11-18/h5,8-10,12-13,16-17,20,24H,4,6-7,11,14-15H2,1-3H3,(H,23,25)/t17?,20-/m0/s1