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

Systemtic Name: [4-[(2-fluorophenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-fluorophenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(2-fluorophenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-fluorophenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-fluorobenzyl)carbamoyl]phenyl] ester Formula: C20H15FN2O6S MolecularWeight: 430.406303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H15FN2O6S/c21-19-7-2-1-4-15(19)13-22-20(24)14-8-10-17(11-9-14)29-30(27,28)18-6-3-5-16(12-18)23(25)26/h1-12H,13H2,(H,22,24)