[3-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[furan-2-carbonyl(2-furylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[2-furfuryl(2-furoyl)amino]methyl]phenyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H21NO6S/c1-15(2)28(23,24)27-17-7-3-6-16(12-17)13-21(14-18-8-4-10-25-18)20(22)19-9-5-11-26-19/h3-12,15H,13-14H2,1-2H3