1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(p-tolylsulfonyl)pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-methylphenyl)sulfonyl-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-(6-tosylpyridazin-3-yl)isonipecotic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(C=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(C=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H19N3O4S/c1-12-2-4-14(5-3-12)25(23,24)16-7-6-15(18-19-16)20-10-8-13(9-11-20)17(21)22/h2-7,13H,8-11H2,1H3,(H,21,22)