4-[4-[(5-phenyl-1H-pyrazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(5-phenyl-1H-pyrazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(5-phenyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

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