3-[2,4-bis(fluoranyl)phenyl]sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid Openeye Name: 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid CAS Name: 3-[(2,4-difluorophenyl)thio]-6-methylsulfonyl-1H-indole-2-carboxylic acid IUPAC Name: 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid Traditional Name: 3-[(2,4-difluorophenyl)thio]-6-mesyl-1H-indole-2-carboxylic acid Formula: C16H11F2NO4S2 MolecularWeight: 383.389646

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)C(=C(N2)C(=O)O)SC3=C(C=C(C=C3)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)C(=C(N2)C(=O)O)SC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C16H11F2NO4S2/c1-25(22,23)9-3-4-10-12(7-9)19-14(16(20)21)15(10)24-13-5-2-8(17)6-11(13)18/h2-7,19H,1H3,(H,20,21)