N-(3-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-(3-ethylphenyl)-1-[6-(p-tolylsulfonyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(3-ethylphenyl)-1-[6-(4-methylphenyl)sulfonyl-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-(3-ethylphenyl)-1-(6-tosylpyridazin-3-yl)isonipecotamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N4O3S/c1-3-19-5-4-6-21(17-19)26-25(30)20-13-15-29(16-14-20)23-11-12-24(28-27-23)33(31,32)22-9-7-18(2)8-10-22/h4-12,17,20H,3,13-16H2,1-2H3,(H,26,30)