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

Systemtic Name: [2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl] ester IUPAC Name: [2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-[[3-(trifluoromethyl)benzyl]carbamoyl]phenyl] ester Formula: C23H20F3NO4S MolecularWeight: 463.46941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20F3NO4S/c1-15-10-11-16(2)21(12-15)32(29,30)31-20-9-4-3-8-19(20)22(28)27-14-17-6-5-7-18(13-17)23(24,25)26/h3-13H,14H2,1-2H3,(H,27,28)