[5-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[ethylcarbamoyl(2-oxolanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[ethylcarbamoyl(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H27FN2O6S MolecularWeight: 466.522983

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1CCCO1)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=O)N(CC1CCCO1)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O6S/c1-3-24-22(26)25(15-18-5-4-12-30-18)14-16-6-11-20(29-2)21(13-16)31-32(27,28)19-9-7-17(23)8-10-19/h6-11,13,18H,3-5,12,14-15H2,1-2H3,(H,24,26)