[5-[[cyclohexylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[cyclohexylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclohexylcarbamoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(cyclohexylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclohexylcarbamoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H29FN2O6S MolecularWeight: 516.581663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3CCCCC3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3CCCCC3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN2O6S/c1-33-24-14-9-19(16-25(24)35-36(31,32)23-12-10-20(27)11-13-23)17-29(18-22-8-5-15-34-22)26(30)28-21-6-3-2-4-7-21/h5,8-16,21H,2-4,6-7,17-18H2,1H3,(H,28,30)