[4-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3-fluoro-4-methoxy-benzyl)-methyl-carbamoyl]phenyl] ester Formula: C22H19FN2O7S MolecularWeight: 474.458863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O7S/c1-24(14-15-6-11-21(31-2)20(23)12-15)22(26)16-7-9-18(10-8-16)32-33(29,30)19-5-3-4-17(13-19)25(27)28/h3-13H,14H2,1-2H3