2-[4-[2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(5-chloro-1-methyl-benzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(5-chloro-1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(5-chloro-1-methyl-benzimidazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H20ClN5O3S2 MolecularWeight: 489.9982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20ClN5O3S2/c1-25-18-7-6-16(22)12-17(18)24-21(25)31-14-20(28)26-8-10-27(11-9-26)32(29,30)19-5-3-2-4-15(19)13-23/h2-7,12H,8-11,14H2,1H3