4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c19-13-14-4-6-15(7-5-14)18(23)20-8-10-21(11-9-20)28(26,27)17-3-1-2-16(12-17)22(24)25/h1-7,12H,8-11H2