1-methyl-5-methylsulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-methyl-5-methylsulfonyl-indole-2-carboxylic acid Openeye Name: 1-methyl-5-methylsulfonyl-indole-2-carboxylic acid CAS Name: 1-methyl-5-methylsulfonyl-2-indolecarboxylic acid IUPAC Name: 1-methyl-5-methylsulfonylindole-2-carboxylic acid Traditional Name: 5-mesyl-1-methyl-indole-2-carboxylic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)C)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)C)C=C1C(=O)O

InChI

InChI=1S/C11H11NO4S/c1-12-9-4-3-8(17(2,15)16)5-7(9)6-10(12)11(13)14/h3-6H,1-2H3,(H,13,14)