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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

InChI

InChI=1S/C29H34FNO5S/c1-5-6-7-22-8-11-24(12-9-22)29(32)31(19-21(2)3)20-23-10-17-27(35-4)28(18-23)36-37(33,34)26-15-13-25(30)14-16-26/h8-18,21H,5-7,19-20H2,1-4H3