[3-[[(4-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-butylbenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-butylphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-butylbenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C29H28FNO5S MolecularWeight: 521.599723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C29H28FNO5S/c1-2-3-6-22-10-12-24(13-11-22)29(32)31(21-27-9-5-18-35-27)20-23-7-4-8-26(19-23)36-37(33,34)28-16-14-25(30)15-17-28/h4-5,7-19H,2-3,6,20-21H2,1H3