[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C23H25ClN2O6S MolecularWeight: 492.9724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN2O6S/c1-15(27)25-20(16-5-8-19(24)9-6-16)13-23(29)32-14-22(28)18-7-10-21-17(12-18)4-3-11-26(21)33(2,30)31/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,25,27)