3-nitro-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-[4-(2-nitrophenyl)sulfonylpiperazino]benzonitrile Formula: C17H15N5O6S MolecularWeight: 417.3959

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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=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6S/c18-12-13-5-6-14(16(11-13)22(25)26)19-7-9-20(10-8-19)29(27,28)17-4-2-1-3-15(17)21(23)24/h1-6,11H,7-10H2