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

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

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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(=CC=C3)[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(=CC=C3)[N+](=O)[O-]

InChI

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