[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S2/c1-13-5-10-16(28(3,23)24)11-17(13)19(22)27-12-18(21)14-6-8-15(9-7-14)20(2)29(4,25)26/h5-11H,12H2,1-4H3