[5-[[furan-2-ylmethyl(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-(2-methoxy-1-oxoethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(2-methoxyacetyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H22FNO7S MolecularWeight: 463.475983

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

COCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C22H22FNO7S/c1-28-15-22(25)24(14-18-4-3-11-30-18)13-16-5-10-20(29-2)21(12-16)31-32(26,27)19-8-6-17(23)7-9-19/h3-12H,13-15H2,1-2H3