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

Systemtic Name: [3-[[butan-2-yl(cyclohexylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclohexanecarbonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(cyclohexanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO4S/c1-3-18(2)26(24(27)20-9-5-4-6-10-20)17-19-8-7-11-22(16-19)30-31(28,29)23-14-12-21(25)13-15-23/h7-8,11-16,18,20H,3-6,9-10,17H2,1-2H3