[3-[[(4-methyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-methyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methyl-3-nitrobenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C24H23FN2O6S MolecularWeight: 486.512623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H23FN2O6S/c1-16(2)26(24(28)19-8-7-17(3)23(14-19)27(29)30)15-18-5-4-6-21(13-18)33-34(31,32)22-11-9-20(25)10-12-22/h4-14,16H,15H2,1-3H3