[4-[(5-fluoranyl-2-methyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(5-fluoranyl-2-methyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(5-fluoro-2-methyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(5-fluoro-2-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(5-fluoro-2-methyl-phenyl)carbamoyl]phenyl] ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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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=C(C=CC(=C3)F)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO4S/c1-14-4-5-16(3)21(12-14)29(26,27)28-19-10-7-17(8-11-19)22(25)24-20-13-18(23)9-6-15(20)2/h4-13H,1-3H3,(H,24,25)