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

Systemtic Name: [5-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[2-furfuryl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H29NO7S MolecularWeight: 487.56526

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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)OC)CC3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO7S/c1-18(2)14-25(27)26(17-21-6-5-13-32-21)16-19-7-12-23(31-4)24(15-19)33-34(28,29)22-10-8-20(30-3)9-11-22/h5-13,15,18H,14,16-17H2,1-4H3