[3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl(p-tolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl(tosyl)amino]methyl]phenyl] ester Formula: C24H26FNO5S2 MolecularWeight: 491.595343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

InChI

InChI=1S/C24H26FNO5S2/c1-18(2)16-26(32(27,28)23-11-7-19(3)8-12-23)17-20-5-4-6-22(15-20)31-33(29,30)24-13-9-21(25)10-14-24/h4-15,18H,16-17H2,1-3H3