[3-[(furan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[(furan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[(2-furylmethylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[(furan-2-ylmethylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[(2-furfurylamino)methyl]phenyl] ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CNCC2=CC=CO2

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CNCC2=CC=CO2

InChI

InChI=1S/C15H19NO4S/c1-12(2)21(17,18)20-14-6-3-5-13(9-14)10-16-11-15-7-4-8-19-15/h3-9,12,16H,10-11H2,1-2H3