4-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C21H21ClN5O3S+ MolecularWeight: 458.94114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O3S/c22-15-5-7-16(8-6-15)31(29,30)27-11-9-26(10-12-27)14-20(28)17(13-23)21-24-18-3-1-2-4-19(18)25-21/h1-8,24-25H,9-12,14H2/p+1