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

Systemtic Name: [4-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-furylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-furfuryl(2-thenoyl)amino]methyl]phenyl] ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H21NO5S2/c1-15(2)28(23,24)26-17-9-7-16(8-10-17)13-21(14-18-5-3-11-25-18)20(22)19-6-4-12-27-19/h3-12,15H,13-14H2,1-2H3