1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-5-mesyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C16H13FN2O4S MolecularWeight: 348.348823

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C2C(=C1)C=C(N2CC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CN=C2C(=C1)C=C(N2CC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H13FN2O4S/c1-24(22,23)13-6-11-7-14(16(20)21)19(15(11)18-8-13)9-10-2-4-12(17)5-3-10/h2-8H,9H2,1H3,(H,20,21)