3-(1,3-benzodioxol-5-ylmethylamino)propane-1-sulfonic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)propane-1-sulfonic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)propane-1-sulfonic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-propanesulfonic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)propane-1-sulfonic acid Traditional Name: 3-(piperonylamino)propane-1-sulfonic acid Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCCS(=O)(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCCS(=O)(=O)O

InChI

InChI=1S/C11H15NO5S/c13-18(14,15)5-1-4-12-7-9-2-3-10-11(6-9)17-8-16-10/h2-3,6,12H,1,4-5,7-8H2,(H,13,14,15)