N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-17-14-20(27(25-17)18-8-4-2-5-9-18)24-21(28)16-31-22-11-10-19(15-23-22)32(29,30)26-12-6-3-7-13-26/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,24,28)