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

Systemtic Name: [5-[[(4-ethylphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-ethylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-ethylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-ethylbenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-ethylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C27H30FNO5S MolecularWeight: 499.594203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H30FNO5S/c1-5-20-6-9-22(10-7-20)27(30)29(17-19(2)3)18-21-8-15-25(33-4)26(16-21)34-35(31,32)24-13-11-23(28)12-14-24/h6-16,19H,5,17-18H2,1-4H3