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

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C20H21NO6S/c1-13(22)16-8-10-18(11-9-16)21-19(23)14(2)27-20(24)17-6-4-15(5-7-17)12-28(3,25)26/h4-11,14H,12H2,1-3H3,(H,21,23)/t14-/m1/s1