1-[5-(6-oxidanylidene-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[5-(6-oxidanylidene-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thienyl]sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thiophenyl]sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[[5-(6-keto-1H-pyridazin-3-yl)-2-thienyl]sulfonyl]nipecotic acid Formula: C14H15N3O5S2 MolecularWeight: 369.416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3)C(=O)O

InChI

InChI=1S/C14H15N3O5S2/c18-12-5-3-10(15-16-12)11-4-6-13(23-11)24(21,22)17-7-1-2-9(8-17)14(19)20/h3-6,9H,1-2,7-8H2,(H,16,18)(H,19,20)