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

Systemtic Name: 4-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-(2-chlorobenzyl)pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20ClN5O3S/c23-21-4-2-1-3-18(21)15-27-16-19(14-25-27)22(29)26-9-11-28(12-10-26)32(30,31)20-7-5-17(13-24)6-8-20/h1-8,14,16H,9-12,15H2