1-(6-methoxypyridin-3-yl)-5-[1-(phenylsulfonyl)pyrrol-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-(6-methoxypyridin-3-yl)-5-[1-(phenylsulfonyl)pyrrol-2-yl]pyrazole-3-carboxylic acid Openeye Name: 5-[1-(benzenesulfonyl)pyrrol-2-yl]-1-(6-methoxy-3-pyridyl)pyrazole-3-carboxylic acid CAS Name: 5-[1-(benzenesulfonyl)-2-pyrrolyl]-1-(6-methoxy-3-pyridinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-[1-(benzenesulfonyl)pyrrol-2-yl]-1-(6-methoxypyridin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(1-besylpyrrol-2-yl)-1-(6-methoxy-3-pyridyl)pyrazole-3-carboxylic acid Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O5S/c1-29-19-10-9-14(13-21-19)24-18(12-16(22-24)20(25)26)17-8-5-11-23(17)30(27,28)15-6-3-2-4-7-15/h2-13H,1H3,(H,25,26)