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

Systemtic Name: [4-[[cyclohexylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclohexanecarbonyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[cyclohexyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[cyclohexanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H28FNO4S MolecularWeight: 433.536123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO4S/c1-17(2)25(23(26)19-6-4-3-5-7-19)16-18-8-12-21(13-9-18)29-30(27,28)22-14-10-20(24)11-15-22/h8-15,17,19H,3-7,16H2,1-2H3