1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)C4=C(NC(=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)C4=C(NC(=C4)C)C

InChI

InChI=1S/C22H28N4O3S2/c1-4-26-20-9-8-17(31(28,29)25-10-6-5-7-11-25)13-19(20)24-22(26)30-14-21(27)18-12-15(2)23-16(18)3/h8-9,12-13,23H,4-7,10-11,14H2,1-3H3