[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butyric acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H28ClN3O6S2 MolecularWeight: 506.03582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O6S2/c1-31-12-11-17(24-32(28,29)16-9-7-14(21)8-10-16)19(26)30-13-18(25)23-20(27)22-15-5-3-2-4-6-15/h7-10,15,17,24H,2-6,11-13H2,1H3,(H2,22,23,25,27)/t17-/m0/s1