2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=C(C(=CC(=N4)C)C)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=C(C(=CC(=N4)C)C)C#N

InChI

InChI=1S/C23H27N5O2S2/c1-4-28-21-9-8-18(32(29,30)27-10-6-5-7-11-27)13-20(21)26-22(28)15-31-23-19(14-24)16(2)12-17(3)25-23/h8-9,12-13H,4-7,10-11,15H2,1-3H3