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

Systemtic Name: [3-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C24H26FNO6S2 MolecularWeight: 507.594743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H26FNO6S2/c1-18(2)16-26(33(27,28)23-13-9-21(31-3)10-14-23)17-19-5-4-6-22(15-19)32-34(29,30)24-11-7-20(25)8-12-24/h4-15,18H,16-17H2,1-3H3