[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H18N2O5S/c1-12-4-9-16(27(3,24)25)10-17(12)19(23)26-13(2)18(22)21-15-7-5-14(11-20)6-8-15/h4-10,13H,1-3H3,(H,21,22)/t13-/m1/s1