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

Systemtic Name: [4-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[2-furfuryl(isobutyryl)amino]methyl]phenyl] ester Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)CC3=CC=CO3

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)CC3=CC=CO3

InChI

InChI=1S/C24H26N2O6S/c1-17(2)24(28)26(16-22-5-4-14-31-22)15-19-6-10-21(11-7-19)32-33(29,30)23-12-8-20(9-13-23)25-18(3)27/h4-14,17H,15-16H2,1-3H3,(H,25,27)