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

Systemtic Name: [4-[(2-fluorophenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-fluorophenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(2-fluorophenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-fluorophenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-fluorobenzyl)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)NCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3F

InChI

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