2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(1-methylbenzimidazol-2-yl)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]propanenitrile CAS Name: 2-(1-methyl-2-benzimidazolyl)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 3-keto-2-(1-methylbenzimidazol-2-yl)-3-(4-piperidinosulfonylphenyl)propionitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22N4O3S/c1-25-20-8-4-3-7-19(20)24-22(25)18(15-23)21(27)16-9-11-17(12-10-16)30(28,29)26-13-5-2-6-14-26/h3-4,7-12,18H,2,5-6,13-14H2,1H3