[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)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:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C20H21NO6S/c1-14(22)21-11-15-6-8-17(9-7-15)19(23)12-27-20(24)18-5-3-4-16(10-18)13-28(2,25)26/h3-10H,11-13H2,1-2H3,(H,21,22)