[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H21NO5S/c1-4-14-5-9-16(10-6-14)20-18(21)13(2)25-19(22)15-7-11-17(12-8-15)26(3,23)24/h5-13H,4H2,1-3H3,(H,20,21)