1-ethyl-5-piperidin-1-ylsulfonyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole

Systemtic Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole Openeye Name: 1-ethyl-5-(1-piperidylsulfonyl)-2-[2-(2-pyridyl)ethylsulfanyl]benzimidazole CAS Name: 1-ethyl-5-(1-piperidinylsulfonyl)-2-[2-(2-pyridinyl)ethylthio]benzimidazole IUPAC Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole Traditional Name: 1-ethyl-5-piperidinosulfonyl-2-[2-(2-pyridyl)ethylthio]benzimidazole Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCCC4=CC=CC=N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCCC4=CC=CC=N4

InChI

InChI=1S/C21H26N4O2S2/c1-2-25-20-10-9-18(29(26,27)24-13-6-3-7-14-24)16-19(20)23-21(25)28-15-11-17-8-4-5-12-22-17/h4-5,8-10,12,16H,2-3,6-7,11,13-15H2,1H3