1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S2/c26-21(25-14-11-19(23-25)17-7-3-1-4-8-17)16-29-20-10-9-18(15-22-20)30(27,28)24-12-5-2-6-13-24/h1,3-4,7-10,15H,2,5-6,11-14,16H2