[4-[[butan-2-yl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[p-tolylsulfonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(4-methylphenyl)sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[sec-butyl(tosyl)amino]methyl]phenyl] ester Formula: C24H26FNO5S2 MolecularWeight: 491.595343

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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)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H26FNO5S2/c1-4-19(3)26(32(27,28)23-13-5-18(2)6-14-23)17-20-7-11-22(12-8-20)31-33(29,30)24-15-9-21(25)10-16-24/h5-16,19H,4,17H2,1-3H3