5-[(4-fluorophenyl)methyl]-2-methylsulfonyl-pyrrolo[2,3-b]pyrazine-6-carboxylic acid

Systemtic Name: 5-[(4-fluorophenyl)methyl]-2-methylsulfonyl-pyrrolo[2,3-b]pyrazine-6-carboxylic acid Openeye Name: 5-[(4-fluorophenyl)methyl]-2-methylsulfonyl-pyrrolo[2,3-b]pyrazine-6-carboxylic acid CAS Name: 5-[(4-fluorophenyl)methyl]-2-methylsulfonyl-6-pyrrolo[2,3-b]pyrazinecarboxylic acid IUPAC Name: 5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxylic acid Traditional Name: 5-(4-fluorobenzyl)-2-mesyl-pyrrolo[2,3-b]pyrazine-6-carboxylic acid Formula: C15H12FN3O4S MolecularWeight: 349.336883

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C2C(=N1)C=C(N2CC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CN=C2C(=N1)C=C(N2CC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C15H12FN3O4S/c1-24(22,23)13-7-17-14-11(18-13)6-12(15(20)21)19(14)8-9-2-4-10(16)5-3-9/h2-7H,8H2,1H3,(H,20,21)