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

Systemtic Name: [5-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[ethylcarbamoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[ethylcarbamoyl(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[ethylcarbamoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)CC2=CC=CO2

Isomeric SMILES

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)CC2=CC=CO2

InChI

InChI=1S/C18H24N2O6S/c1-4-19-18(21)20(13-15-7-6-10-25-15)12-14-8-9-16(24-3)17(11-14)26-27(22,23)5-2/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)