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

Systemtic Name: [4-[[butan-2-yl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-methyl-3-nitro-benzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(4-methyl-3-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-methyl-3-nitro-benzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C25H25FN2O6S MolecularWeight: 500.539203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN2O6S/c1-4-18(3)27(25(29)20-8-5-17(2)24(15-20)28(30)31)16-19-6-11-22(12-7-19)34-35(32,33)23-13-9-21(26)10-14-23/h5-15,18H,4,16H2,1-3H3