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

Systemtic Name: [4-[[(4-tert-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-tert-butylbenzoyl)-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-tert-butylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylbenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-tert-butylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C28H32FNO4S MolecularWeight: 497.621383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32FNO4S/c1-20(2)18-30(27(31)22-8-10-23(11-9-22)28(3,4)5)19-21-6-14-25(15-7-21)34-35(32,33)26-16-12-24(29)13-17-26/h6-17,20H,18-19H2,1-5H3