[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C14H17ClN2O6S MolecularWeight: 376.81258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(=O)NCCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H17ClN2O6S/c1-9(18)16-6-5-14(20)23-8-13(19)17-12-7-10(24(2,21)22)3-4-11(12)15/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)(H,17,19)