[3-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl-(4-pentylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(4-pentylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-amylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C29H34FNO4S MolecularWeight: 511.647963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

InChI

InChI=1S/C29H34FNO4S/c1-4-5-6-8-23-11-13-25(14-12-23)29(32)31(20-22(2)3)21-24-9-7-10-27(19-24)35-36(33,34)28-17-15-26(30)16-18-28/h7,9-19,22H,4-6,8,20-21H2,1-3H3