2-[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18ClN5O3S/c22-17-7-5-15(6-8-17)20-18(14-24-25-20)21(28)26-9-11-27(12-10-26)31(29,30)19-4-2-1-3-16(19)13-23/h1-8,14H,9-12H2,(H,24,25)