3-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(5-cyano-2-pyridyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(5-cyano-2-pyridyl)piperazino]sulfonylbenzoic acid Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H16N4O4S/c18-11-13-4-5-16(19-12-13)20-6-8-21(9-7-20)26(24,25)15-3-1-2-14(10-15)17(22)23/h1-5,10,12H,6-9H2,(H,22,23)