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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[4-(2-nitrophenyl)sulfonylpiperazino]butyronitrile Formula: C21H20N6O5S MolecularWeight: 468.4857

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5S/c22-13-15(21-23-16-5-1-2-6-17(16)24-21)19(28)14-25-9-11-26(12-10-25)33(31,32)20-8-4-3-7-18(20)27(29)30/h1-8,23-24H,9-12,14H2