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

Systemtic Name: [3-[[(4-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(4-butylbenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(4-butylphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(4-butylbenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C30H28F3NO5S MolecularWeight: 571.60723

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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=CC(=C3)C(F)(F)F)CC4=CC=CO4

Isomeric SMILES

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

InChI

InChI=1S/C30H28F3NO5S/c1-2-3-7-22-13-15-24(16-14-22)29(35)34(21-27-11-6-17-38-27)20-23-8-4-10-26(18-23)39-40(36,37)28-12-5-9-25(19-28)30(31,32)33/h4-6,8-19H,2-3,7,20-21H2,1H3