[5-[[butan-2-yl(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[furan-2-carbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic 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] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H24FNO6S MolecularWeight: 461.503163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO6S/c1-4-16(2)25(23(26)21-6-5-13-30-21)15-17-7-12-20(29-3)22(14-17)31-32(27,28)19-10-8-18(24)9-11-19/h5-14,16H,4,15H2,1-3H3