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

Systemtic Name: 2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-pyrazol-1-ylbenzoyl)piperazino]sulfonylbenzonitrile Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19N5O3S/c22-16-18-4-1-2-5-20(18)30(28,29)25-14-12-24(13-15-25)21(27)17-6-8-19(9-7-17)26-11-3-10-23-26/h1-11H,12-15H2