[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butyric acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H27ClN2O5S2 MolecularWeight: 463.01108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O5S2/c1-28-12-11-17(22-29(25,26)16-9-7-14(20)8-10-16)19(24)27-13-18(23)21-15-5-3-2-4-6-15/h7-10,15,17,22H,2-6,11-13H2,1H3,(H,21,23)/t17-/m1/s1