[5-[[butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[butylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[butylamino(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[butylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31FN2O5S MolecularWeight: 466.566043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN2O5S/c1-5-6-13-25-23(27)26(15-17(2)3)16-18-7-12-21(30-4)22(14-18)31-32(28,29)20-10-8-19(24)9-11-20/h7-12,14,17H,5-6,13,15-16H2,1-4H3,(H,25,27)