[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(2-chloro-6-fluorophenyl)methyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-chloro-6-fluoro-benzyl)-methyl-carbamoyl]phenyl] ester Formula: C21H16ClFN2O6S MolecularWeight: 478.877943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClFN2O6S/c1-24(13-18-19(22)6-3-7-20(18)23)21(26)14-8-10-16(11-9-14)31-32(29,30)17-5-2-4-15(12-17)25(27)28/h2-12H,13H2,1H3