[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-13-4-2-3-5-16(13)20-17(21)12-25-18(22)10-11-26(23,24)15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3,(H,20,21)