1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-[(1-ethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-[(1-ethylbenzimidazol-2-yl)thio]ethanone Formula: C21H22ClFN4O3S2 MolecularWeight: 497.005783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H22ClFN4O3S2/c1-2-27-19-6-4-3-5-18(19)24-21(27)31-14-20(28)25-9-11-26(12-10-25)32(29,30)15-7-8-17(23)16(22)13-15/h3-8,13H,2,9-12,14H2,1H3