[3-[[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[1,3-benzodioxole-5-carbonyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[1,3-benzodioxole-5-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(piperonyloyl)amino]methyl]phenyl] ester Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO7S/c1-2-31(25,26)30-18-6-3-5-16(11-18)13-23(14-19-7-4-10-27-19)22(24)17-8-9-20-21(12-17)29-15-28-20/h3-12H,2,13-15H2,1H3