1-ethyl-5-piperidin-1-ylsulfonyl-2-(2-pyridin-4-ylethylsulfanyl)benzimidazole

Systemtic Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-(2-pyridin-4-ylethylsulfanyl)benzimidazole Openeye Name: 1-ethyl-5-(1-piperidylsulfonyl)-2-[2-(4-pyridyl)ethylsulfanyl]benzimidazole CAS Name: 1-ethyl-5-(1-piperidinylsulfonyl)-2-(2-pyridin-4-ylethylthio)benzimidazole IUPAC Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-(2-pyridin-4-ylethylsulfanyl)benzimidazole Traditional Name: 1-ethyl-5-piperidinosulfonyl-2-[2-(4-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=NC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCCC4=CC=NC=C4

InChI

InChI=1S/C21H26N4O2S2/c1-2-25-20-7-6-18(29(26,27)24-13-4-3-5-14-24)16-19(20)23-21(25)28-15-10-17-8-11-22-12-9-17/h6-9,11-12,16H,2-5,10,13-15H2,1H3