[5-[[cyclohexylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[cyclohexylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclohexanecarbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[cyclohexyl(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexanecarbonyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclohexanecarbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H32FNO5S MolecularWeight: 477.588683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCCC3

InChI

InChI=1S/C25H32FNO5S/c1-18(2)16-27(25(28)20-7-5-4-6-8-20)17-19-9-14-23(31-3)24(15-19)32-33(29,30)22-12-10-21(26)11-13-22/h9-15,18,20H,4-8,16-17H2,1-3H3