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

Systemtic Name: [(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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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(=O)C

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(=O)C

InChI

InChI=1S/C20H21NO6S/c1-12-5-10-17(28(4,25)26)11-18(12)20(24)27-14(3)19(23)21-16-8-6-15(7-9-16)13(2)22/h5-11,14H,1-4H3,(H,21,23)/t14-/m0/s1