3-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonylbenzoate

Systemtic Name: 3-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonylbenzoate Openeye Name: 3-[(6-pyrazol-1-yl-3-pyridyl)azanidylsulfonyl]benzoate CAS Name: 3-[[6-(1-pyrazolyl)-3-pyridinyl]azanidylsulfonyl]benzoate IUPAC Name: 3-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonylbenzoate Traditional Name: 3-[(6-pyrazol-1-yl-3-pyridyl)azanidylsulfonyl]benzoate Formula: C15H10N4O4S-2 MolecularWeight: 342.3293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[N-]C2=CN=C(C=C2)N3C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[N-]C2=CN=C(C=C2)N3C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C15H11N4O4S/c20-15(21)11-3-1-4-13(9-11)24(22,23)18-12-5-6-14(16-10-12)19-8-2-7-17-19/h1-10H,(H,20,21)/q-1/p-1