[4-[(3-fluorophenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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