2-(1-methyl-3-methylsulfonyl-indol-2-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-3-methylsulfonyl-indol-2-yl)ethanoic acid Openeye Name: 2-(1-methyl-3-methylsulfonyl-indol-2-yl)acetic acid CAS Name: 2-(1-methyl-3-methylsulfonyl-2-indolyl)acetic acid IUPAC Name: 2-(1-methyl-3-methylsulfonylindol-2-yl)acetic acid Traditional Name: 2-(3-mesyl-1-methyl-indol-2-yl)acetic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H13NO4S/c1-13-9-6-4-3-5-8(9)12(18(2,16)17)10(13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)