[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

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