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

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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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)CCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-14-4-9-18(29(3,26)27)12-19(14)21(25)28-13-20(24)17-7-5-16(6-8-17)10-11-22-15(2)23/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)