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

Systemtic Name: [2-methoxy-5-[[(4-pentylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropyl-(4-pentylbenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[[oxo-(4-pentylphenyl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-pentylbenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-amylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C29H34FNO5S MolecularWeight: 527.647363

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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)C(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)C(C)C

InChI

InChI=1S/C29H34FNO5S/c1-5-6-7-8-22-9-12-24(13-10-22)29(32)31(21(2)3)20-23-11-18-27(35-4)28(19-23)36-37(33,34)26-16-14-25(30)15-17-26/h9-19,21H,5-8,20H2,1-4H3