[3-(dimethylcarbamoyl)phenyl] 4-ethanoylbenzenesulfonate

Systemtic Name: [3-(dimethylcarbamoyl)phenyl] 4-ethanoylbenzenesulfonate Openeye Name: [3-(dimethylcarbamoyl)phenyl] 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid [3-[dimethylamino(oxo)methyl]phenyl] ester IUPAC Name: [3-(dimethylcarbamoyl)phenyl] 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid [3-(dimethylcarbamoyl)phenyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)N(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)N(C)C

InChI

InChI=1S/C17H17NO5S/c1-12(19)13-7-9-16(10-8-13)24(21,22)23-15-6-4-5-14(11-15)17(20)18(2)3/h4-11H,1-3H3