[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CCCCC1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1CCCCC1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O5S/c1-14(2)18(21-27(24,25)16-11-7-4-8-12-16)19(23)26-13-17(22)20-15-9-5-3-6-10-15/h4,7-8,11-12,14-15,18,21H,3,5-6,9-10,13H2,1-2H3,(H,20,22)/t18-/m0/s1