[5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(cyclohexylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H31FN2O6S MolecularWeight: 494.576143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN2O6S/c1-31-15-14-27(24(28)26-20-6-4-3-5-7-20)17-18-8-13-22(32-2)23(16-18)33-34(29,30)21-11-9-19(25)10-12-21/h8-13,16,20H,3-7,14-15,17H2,1-2H3,(H,26,28)