2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-1-piperidino-ethanone Formula: C21H30N4O3S2 MolecularWeight: 450.6179

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)N4CCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)N4CCCCC4

InChI

InChI=1S/C21H30N4O3S2/c1-2-25-19-10-9-17(30(27,28)24-13-7-4-8-14-24)15-18(19)22-21(25)29-16-20(26)23-11-5-3-6-12-23/h9-10,15H,2-8,11-14,16H2,1H3