2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N5O3S2/c1-2-27-19-9-5-4-8-18(19)24-22(27)31-16-21(28)25-11-13-26(14-12-25)32(29,30)20-10-6-3-7-17(20)15-23/h3-10H,2,11-14,16H2,1H3