2-(2-propylsulfonyl-1,3-dihydroisoindol-5-yl)ethanoic acid

Systemtic Name: 2-(2-propylsulfonyl-1,3-dihydroisoindol-5-yl)ethanoic acid Openeye Name: 2-(2-propylsulfonylisoindolin-5-yl)acetic acid CAS Name: 2-(2-propylsulfonyl-1,3-dihydroisoindol-5-yl)acetic acid IUPAC Name: 2-(2-propylsulfonyl-1,3-dihydroisoindol-5-yl)acetic acid Traditional Name: 2-(2-propylsulfonylisoindolin-5-yl)acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C1)C=C(C=C2)CC(=O)O

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C1)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C13H17NO4S/c1-2-5-19(17,18)14-8-11-4-3-10(7-13(15)16)6-12(11)9-14/h3-4,6H,2,5,7-9H2,1H3,(H,15,16)