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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)N1C(CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)N1C(CC2=CC=CC=C21)C(=O)O

InChI

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