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

Systemtic Name: [4-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[acetyl(2-furylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[acetyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[acetyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[acetyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-16(25)23-19-7-11-22(12-8-19)31(27,28)30-20-9-5-18(6-10-20)14-24(17(2)26)15-21-4-3-13-29-21/h3-13H,14-15H2,1-2H3,(H,23,25)