[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C)C

InChI

InChI=1S/C20H22ClNO5S/c1-13-5-7-17(10-15(13)3)28(25,26)9-8-20(24)27-12-19(23)22-18-11-16(21)6-4-14(18)2/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,23)