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

Systemtic Name: [5-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-furfuryl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S/c1-5-27(22,23)26-18-11-15(8-9-17(18)24-4)12-20(19(21)14(2)3)13-16-7-6-10-25-16/h6-11,14H,5,12-13H2,1-4H3