1-(3-methylsulfonylpropanoyl)-2,3-dihydroindole-5-carboxylic acid

Systemtic Name: 1-(3-methylsulfonylpropanoyl)-2,3-dihydroindole-5-carboxylic acid Openeye Name: 1-(3-methylsulfonylpropanoyl)indoline-5-carboxylic acid CAS Name: 1-(3-methylsulfonyl-1-oxopropyl)-2,3-dihydroindole-5-carboxylic acid IUPAC Name: 1-(3-methylsulfonylpropanoyl)-2,3-dihydroindole-5-carboxylic acid Traditional Name: 1-(3-mesylpropanoyl)indoline-5-carboxylic acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)O

InChI

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