[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl] ester Formula: C21H17FN2O6S MolecularWeight: 444.432883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O6S/c22-17-8-4-15(5-9-17)12-13-23-21(25)16-6-10-19(11-7-16)30-31(28,29)20-3-1-2-18(14-20)24(26)27/h1-11,14H,12-13H2,(H,23,25)