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

Systemtic Name: [3-[[butan-2-yl(cyclohexylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclohexylcarbamoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(cyclohexylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(cyclohexylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclohexylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C24H31FN2O4S MolecularWeight: 462.577343

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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)NC3CCCCC3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCCCC3

InChI

InChI=1S/C24H31FN2O4S/c1-3-18(2)27(24(28)26-21-9-5-4-6-10-21)17-19-8-7-11-22(16-19)31-32(29,30)23-14-12-20(25)13-15-23/h7-8,11-16,18,21H,3-6,9-10,17H2,1-2H3,(H,26,28)