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

Systemtic Name: [4-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[acetyl(2-furylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[acetyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[acetyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C17H21NO5S MolecularWeight: 351.41734

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5S/c1-13(2)24(20,21)23-16-8-6-15(7-9-16)11-18(14(3)19)12-17-5-4-10-22-17/h4-10,13H,11-12H2,1-3H3