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

Systemtic Name: 6-chloranyl-1-(2-methylsulfonylethyl)indole-2-carboxylic acid Openeye Name: 6-chloro-1-(2-methylsulfonylethyl)indole-2-carboxylic acid CAS Name: 6-chloro-1-(2-methylsulfonylethyl)-2-indolecarboxylic acid IUPAC Name: 6-chloro-1-(2-methylsulfonylethyl)indole-2-carboxylic acid Traditional Name: 6-chloro-1-(2-mesylethyl)indole-2-carboxylic acid Formula: C12H12ClNO4S MolecularWeight: 301.74598

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1C(=CC2=C1C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCN1C(=CC2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H12ClNO4S/c1-19(17,18)5-4-14-10-7-9(13)3-2-8(10)6-11(14)12(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)