[5-[[ethanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[ethanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[acetyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[acetyl(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[acetyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[acetyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3=CC=CO3)C(=O)C)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3=CC=CO3)C(=O)C)OC

InChI

InChI=1S/C23H24N2O7S/c1-16(26)24-19-7-9-21(10-8-19)33(28,29)32-23-13-18(6-11-22(23)30-3)14-25(17(2)27)15-20-5-4-12-31-20/h4-13H,14-15H2,1-3H3,(H,24,26)