[3-(dimethylcarbamoyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(dimethylcarbamoyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(dimethylcarbamoyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[dimethylamino(oxo)methyl]phenyl] ester IUPAC Name: [3-(dimethylcarbamoyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(dimethylcarbamoyl)phenyl] ester Formula: C16H17NO4S MolecularWeight: 319.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)N(C)C

InChI

InChI=1S/C16H17NO4S/c1-12-7-9-15(10-8-12)22(19,20)21-14-6-4-5-13(11-14)16(18)17(2)3/h4-11H,1-3H3