[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C18H19NO5S/c1-12-8-13(2)10-14(9-12)18(21)24-11-17(20)19-15-4-6-16(7-5-15)25(3,22)23/h4-10H,11H2,1-3H3,(H,19,20)