[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-13-3-4-14(2)17(11-13)21-18(22)12-26-19(23)9-10-27(24,25)16-7-5-15(20)6-8-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)