[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-14-7-9-18(10-8-14)27(24,25)12-11-19(22)26-16(3)20(23)21-17-6-4-5-15(2)13-17/h4-10,13,16H,11-12H2,1-3H3,(H,21,23)