[5-[[butan-2-yl(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[[butan-2-yl(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[furan-2-carbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[butan-2-yl-[2-furanyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(furan-2-carbonyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[2-furoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H24F3NO6S MolecularWeight: 511.51067

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CO3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CO3

InChI

InChI=1S/C24H24F3NO6S/c1-4-16(2)28(23(29)21-9-6-12-33-21)15-17-10-11-20(32-3)22(13-17)34-35(30,31)19-8-5-7-18(14-19)24(25,26)27/h5-14,16H,4,15H2,1-3H3