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

Systemtic Name: [2-[(4-fluorophenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-[(4-fluorophenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-[[(4-fluorophenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-[(4-fluorobenzyl)carbamoyl]phenyl] ester Formula: C22H20FNO4S MolecularWeight: 413.461903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO4S/c1-15-7-8-16(2)21(13-15)29(26,27)28-20-6-4-3-5-19(20)22(25)24-14-17-9-11-18(23)12-10-17/h3-13H,14H2,1-2H3,(H,24,25)