[4-[[butan-2-yl(cyclohexylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl(cyclohexylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclohexanecarbonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(cyclohexanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[cyclohexanecarbonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C24H30FNO4S MolecularWeight: 447.562703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCCC3

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCCC3

InChI

InChI=1S/C24H30FNO4S/c1-3-18(2)26(24(27)20-7-5-4-6-8-20)17-19-9-13-22(14-10-19)30-31(28,29)23-15-11-21(25)12-16-23/h9-16,18,20H,3-8,17H2,1-2H3