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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-mesyl-butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O6S/c1-19(2)14(20)10-25-16(22)13(8-9-26(3,23)24)18-15(21)11-4-6-12(17)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,18,21)/t13-/m0/s1