2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC4=NC(=NC(=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC4=NC(=NC(=C4)C)C

InChI

InChI=1S/C20H25N5O2S2/c1-4-25-18-9-8-16(29(26,27)24-10-6-5-7-11-24)13-17(18)23-20(25)28-19-12-14(2)21-15(3)22-19/h8-9,12-13H,4-7,10-11H2,1-3H3