[4-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[1-(4-fluorophenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] ester Formula: C21H17FN2O6S MolecularWeight: 444.432883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O6S/c1-14(15-5-9-17(22)10-6-15)23-21(25)16-7-11-19(12-8-16)30-31(28,29)20-4-2-3-18(13-20)24(26)27/h2-14H,1H3,(H,23,25)