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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C19H20FNO5S MolecularWeight: 393.429203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO5S/c1-13-3-6-16(11-14(13)2)21-18(22)12-26-19(23)9-10-27(24,25)17-7-4-15(20)5-8-17/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)