[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-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)OCC(=O)C2=CC=C(C=C2)CNC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC=C(C=C2)CNC(=O)C

InChI

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