3-nitro-4-[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazino]-3-nitro-benzonitrile Formula: C18H16N6O5S MolecularWeight: 428.42184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C18H16N6O5S/c19-11-12-1-4-16(17(9-12)24(26)27)22-5-7-23(8-6-22)30(28,29)13-2-3-14-15(10-13)21-18(25)20-14/h1-4,9-10H,5-8H2,(H2,20,21,25)