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

Systemtic Name: [5-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[2-furfuryl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28N2O7S/c1-17(2)25(29)27(16-21-6-5-13-33-21)15-19-7-12-23(32-4)24(14-19)34-35(30,31)22-10-8-20(9-11-22)26-18(3)28/h5-14,17H,15-16H2,1-4H3,(H,26,28)