[5-[[(4-tert-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-tert-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-tert-butylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylbenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-tert-butylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C29H34FNO5S MolecularWeight: 527.647363

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H34FNO5S/c1-20(2)18-31(28(32)22-8-10-23(11-9-22)29(3,4)5)19-21-7-16-26(35-6)27(17-21)36-37(33,34)25-14-12-24(30)13-15-25/h7-17,20H,18-19H2,1-6H3