5-[3-(carboxymethyl)-5-fluoranyl-2-methyl-indol-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-[3-(carboxymethyl)-5-fluoranyl-2-methyl-indol-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-[3-(carboxymethyl)-5-fluoro-2-methyl-indol-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[[3-(carboxymethyl)-5-fluoro-2-methyl-1-indolyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-[3-(carboxymethyl)-5-fluoro-2-methylindol-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-[3-(carboxymethyl)-5-fluoro-2-methyl-indol-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C17H15FN2O6S MolecularWeight: 394.374203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(N3C)C(=O)O)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(N3C)C(=O)O)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C17H15FN2O6S/c1-9-11(8-16(21)22)12-7-10(18)3-4-13(12)20(9)27(25,26)15-6-5-14(17(23)24)19(15)2/h3-7H,8H2,1-2H3,(H,21,22)(H,23,24)