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

Systemtic Name: [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl] ester IUPAC Name: [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] ester Formula: C22H18F3NO4S MolecularWeight: 449.44283

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H18F3NO4S/c1-14-6-7-15(2)20(12-14)31(28,29)30-19-10-8-16(9-11-19)21(27)26-18-5-3-4-17(13-18)22(23,24)25/h3-13H,1-2H3,(H,26,27)