[5-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[2-furanylmethyl-(3-methyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[2-furfuryl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=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)CC(=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/C26H30N2O7S/c1-18(2)14-26(30)28(17-22-6-5-13-34-22)16-20-7-12-24(33-4)25(15-20)35-36(31,32)23-10-8-21(9-11-23)27-19(3)29/h5-13,15,18H,14,16-17H2,1-4H3,(H,27,29)