[5-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[furan-2-carbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[2-furanyl(oxo)methyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-carbonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-furoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C2=CC=CO2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C2=CC=CO2)OC

InChI

InChI=1S/C18H23NO6S/c1-5-26(21,22)25-17-11-14(8-9-15(17)23-4)12-19(13(2)3)18(20)16-7-6-10-24-16/h6-11,13H,5,12H2,1-4H3