[(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [(1R)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C20H23NO5S/c1-4-15-8-10-18(11-9-15)21-19(22)14(2)26-20(23)17-7-5-6-16(12-17)13-27(3,24)25/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1