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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl-(4-pentylbenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methylpropyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(4-pentylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-amylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C30H36FNO5S MolecularWeight: 541.673943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=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

CCCCCC1=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/C30H36FNO5S/c1-5-6-7-8-23-9-12-25(13-10-23)30(33)32(20-22(2)3)21-24-11-18-28(36-4)29(19-24)37-38(34,35)27-16-14-26(31)15-17-27/h9-19,22H,5-8,20-21H2,1-4H3