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

Systemtic Name: [4-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclohexylcarbamoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(cyclohexylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[cyclohexylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H29FN2O4S MolecularWeight: 448.550763

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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)NC3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O4S/c1-17(2)26(23(27)25-20-6-4-3-5-7-20)16-18-8-12-21(13-9-18)30-31(28,29)22-14-10-19(24)11-15-22/h8-15,17,20H,3-7,16H2,1-2H3,(H,25,27)