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

Systemtic Name: propan-2-yl 3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylmethyl]benzoate Openeye Name: isopropyl 3-[[2-(4-methylanilino)-2-oxo-ethyl]sulfonylmethyl]benzoate CAS Name: 3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate Traditional Name: 3-[[2-keto-2-(p-toluidino)ethyl]sulfonylmethyl]benzoic acid isopropyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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