[1-(cyclohexylamino)-2-methyl-1-oxidanylidene-3-(phenylsulfonyl)propan-2-yl] 2-methylpropanoate

Systemtic Name: [1-(cyclohexylamino)-2-methyl-1-oxidanylidene-3-(phenylsulfonyl)propan-2-yl] 2-methylpropanoate Openeye Name: [1-(benzenesulfonylmethyl)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-(benzenesulfonyl)-1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] ester IUPAC Name: [3-(benzenesulfonyl)-1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [1-(besylmethyl)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(C)(CS(=O)(=O)C1=CC=CC=C1)C(=O)NC2CCCCC2

Isomeric SMILES

CC(C)C(=O)OC(C)(CS(=O)(=O)C1=CC=CC=C1)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H29NO5S/c1-15(2)18(22)26-20(3,19(23)21-16-10-6-4-7-11-16)14-27(24,25)17-12-8-5-9-13-17/h5,8-9,12-13,15-16H,4,6-7,10-11,14H2,1-3H3,(H,21,23)