[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

InChI

InChI=1S/C19H21NO5S/c1-12-5-8-15(9-6-12)20-18(21)14(3)25-19(22)17-11-16(26(4,23)24)10-7-13(17)2/h5-11,14H,1-4H3,(H,20,21)