1-(2-methylsulfonylethyl)indole-2-carboxylic acid

Systemtic Name: 1-(2-methylsulfonylethyl)indole-2-carboxylic acid Openeye Name: 1-(2-methylsulfonylethyl)indole-2-carboxylic acid CAS Name: 1-(2-methylsulfonylethyl)-2-indolecarboxylic acid IUPAC Name: 1-(2-methylsulfonylethyl)indole-2-carboxylic acid Traditional Name: 1-(2-mesylethyl)indole-2-carboxylic acid Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1C2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

CS(=O)(=O)CCN1C2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C12H13NO4S/c1-18(16,17)7-6-13-10-5-3-2-4-9(10)8-11(13)12(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)