methyl 4-[[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[2-(3-methylanilino)-2-oxo-ethyl]sulfonylmethyl]benzoate CAS Name: 4-[[2-(3-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate Traditional Name: 4-[[2-keto-2-(m-toluidino)ethyl]sulfonylmethyl]benzoic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H19NO5S/c1-13-4-3-5-16(10-13)19-17(20)12-25(22,23)11-14-6-8-15(9-7-14)18(21)24-2/h3-10H,11-12H2,1-2H3,(H,19,20)