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

Systemtic Name: [5-[[butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[butylamino(oxo)methyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29FN2O6S MolecularWeight: 468.538863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O6S/c1-4-5-12-24-22(26)25(13-14-29-2)16-17-6-11-20(30-3)21(15-17)31-32(27,28)19-9-7-18(23)8-10-19/h6-11,15H,4-5,12-14,16H2,1-3H3,(H,24,26)