[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-mesyl-butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C15H19ClN2O6S MolecularWeight: 390.83916

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CNC(=O)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H19ClN2O6S/c1-17-13(19)9-24-15(21)12(7-8-25(2,22)23)18-14(20)10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t12-/m0/s1