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

Systemtic Name: [5-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-furfuryl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=CO2)C(=O)CC(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=CO2)C(=O)CC(C)C)OC

InChI

InChI=1S/C20H27NO6S/c1-5-28(23,24)27-19-12-16(8-9-18(19)25-4)13-21(20(22)11-15(2)3)14-17-7-6-10-26-17/h6-10,12,15H,5,11,13-14H2,1-4H3