[4-[[furan-2-ylmethyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[2-furylmethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[2-furanylmethyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[2-furfuryl-(2-methoxyacetyl)amino]methyl]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=CC=C(C=C2)CN(CC3=CC=CO3)C(=O)COC

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O7S/c1-17(26)24-19-7-11-22(12-8-19)33(28,29)32-20-9-5-18(6-10-20)14-25(23(27)16-30-2)15-21-4-3-13-31-21/h3-13H,14-16H2,1-2H3,(H,24,26)