2-[4-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H18ClN5O3S MolecularWeight: 455.91732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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