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

Systemtic Name: [5-[[butylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[butylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[butylamino(oxo)methyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[butylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29FN2O5S MolecularWeight: 452.539463

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O5S/c1-5-6-13-24-22(26)25(16(2)3)15-17-7-12-20(29-4)21(14-17)30-31(27,28)19-10-8-18(23)9-11-19/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,26)