5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxylic acid

Systemtic Name: 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxylic acid Openeye Name: 5-(p-tolylsulfonylamino)-6-(3-pyridylmethoxy)pyrazine-2-carboxylic acid CAS Name: 5-[(4-methylphenyl)sulfonylamino]-6-(3-pyridinylmethoxy)-2-pyrazinecarboxylic acid IUPAC Name: 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxylic acid Traditional Name: 6-(3-pyridylmethoxy)-5-(tosylamino)pyrazinoic acid Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N=C2OCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N4O5S/c1-12-4-6-14(7-5-12)28(25,26)22-16-17(21-15(10-20-16)18(23)24)27-11-13-3-2-8-19-9-13/h2-10H,11H2,1H3,(H,20,22)(H,23,24)