[5-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[cyclobutanecarbonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[[cyclobutyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclobutanecarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[cyclobutanecarbonyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3=CC=CO3)C(=O)C4CCC4)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3=CC=CO3)C(=O)C4CCC4)OC

InChI

InChI=1S/C25H27NO7S/c1-30-20-9-11-22(12-10-20)34(28,29)33-24-15-18(8-13-23(24)31-2)16-26(17-21-7-4-14-32-21)25(27)19-5-3-6-19/h4,7-15,19H,3,5-6,16-17H2,1-2H3