4-[4-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

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