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

Systemtic Name: [3-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C27H32FNO5S2 MolecularWeight: 533.675083

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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)C(C)(C)C

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)C(C)(C)C

InChI

InChI=1S/C27H32FNO5S2/c1-20(2)18-29(35(30,31)25-13-9-22(10-14-25)27(3,4)5)19-21-7-6-8-24(17-21)34-36(32,33)26-15-11-23(28)12-16-26/h6-17,20H,18-19H2,1-5H3