4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-methylsulfonylindolin-1-yl)-4-oxo-butanoic acid CAS Name: 4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoic acid IUPAC Name: 4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(5-mesylindolin-1-yl)butyric acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H15NO5S/c1-20(18,19)10-2-3-11-9(8-10)6-7-14(11)12(15)4-5-13(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)