3-(1,3-dihydroisoindol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(1,3-dihydroisoindol-2-yl)propane-1-sulfonic acid Openeye Name: 3-isoindolin-2-ylpropane-1-sulfonic acid CAS Name: 3-(1,3-dihydroisoindol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(1,3-dihydroisoindol-2-yl)propane-1-sulfonic acid Traditional Name: 3-isoindolin-2-ylpropane-1-sulfonic acid Formula: C11H15NO3S MolecularWeight: 241.3067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1CCCS(=O)(=O)O

Isomeric SMILES

C1C2=CC=CC=C2CN1CCCS(=O)(=O)O

InChI

InChI=1S/C11H15NO3S/c13-16(14,15)7-3-6-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5H,3,6-9H2,(H,13,14,15)