[3-[(phenylmethyl)carbamoyl]phenyl] 4,5-dimethoxy-2-methyl-benzenesulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 4,5-dimethoxy-2-methyl-benzenesulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 4,5-dimethoxy-2-methyl-benzenesulfonate CAS Name: 4,5-dimethoxy-2-methylbenzenesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 4,5-dimethoxy-2-methylbenzenesulfonate Traditional Name: 4,5-dimethoxy-2-methyl-benzenesulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C23H23NO6S MolecularWeight: 441.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H23NO6S/c1-16-12-20(28-2)21(29-3)14-22(16)31(26,27)30-19-11-7-10-18(13-19)23(25)24-15-17-8-5-4-6-9-17/h4-14H,15H2,1-3H3,(H,24,25)