[4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(methylcarbamoyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(methylcarbamoyl)phenyl]carbamoyl]phenyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C23H22N2O5S/c1-15-7-8-16(2)21(13-15)31(28,29)30-20-11-9-17(10-12-20)23(27)25-19-6-4-5-18(14-19)22(26)24-3/h4-14H,1-3H3,(H,24,26)(H,25,27)