2-[4-[1-(4-nitrophenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(4-nitrophenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H18N6O5S MolecularWeight: 466.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18N6O5S/c22-13-16-3-1-2-4-20(16)33(31,32)25-11-9-24(10-12-25)21(28)17-14-23-26(15-17)18-5-7-19(8-6-18)27(29)30/h1-8,14-15H,9-12H2