2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C(=O)C(=C(C(=N4)C)C)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C(=O)C(=C(C(=N4)C)C)C#N

InChI

InChI=1S/C22H26N6O3S/c1-4-27-20-9-8-17(32(30,31)26-10-6-5-7-11-26)12-19(20)24-21(27)14-28-22(29)18(13-23)15(2)16(3)25-28/h8-9,12H,4-7,10-11,14H2,1-3H3