[4-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(4-fluoro-3-methylphenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-fluoro-3-methyl-benzyl)carbamoyl]phenyl] ester Formula: C21H17FN2O6S MolecularWeight: 444.432883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H17FN2O6S/c1-14-11-15(5-10-20(14)22)13-23-21(25)16-6-8-18(9-7-16)30-31(28,29)19-4-2-3-17(12-19)24(26)27/h2-12H,13H2,1H3,(H,23,25)