[4-[[2-(2-fluoranylphenoxy)propanoylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[2-(2-fluoranylphenoxy)propanoylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[2-(2-fluorophenoxy)-1-oxopropyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]phenyl] ester Formula: C24H23FN2O6S MolecularWeight: 486.512623

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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)C(C)OC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C(C)OC3=CC=CC=C3F

InChI

InChI=1S/C24H23FN2O6S/c1-15-8-9-16(2)22(14-15)34(30,31)33-19-12-10-18(11-13-19)24(29)27-26-23(28)17(3)32-21-7-5-4-6-20(21)25/h4-14,17H,1-3H3,(H,26,28)(H,27,29)