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

Systemtic Name: [4-[[(4-fluorophenyl)carbonylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[(4-fluorophenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl] ester Formula: C22H19FN2O5S MolecularWeight: 442.460063

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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)NNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O5S/c1-14-3-4-15(2)20(13-14)31(28,29)30-19-11-7-17(8-12-19)22(27)25-24-21(26)16-5-9-18(23)10-6-16/h3-13H,1-2H3,(H,24,26)(H,25,27)