4-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1-benzylpyrazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5O3S/c23-14-18-6-8-21(9-7-18)31(29,30)27-12-10-25(11-13-27)22(28)20-15-24-26(17-20)16-19-4-2-1-3-5-19/h1-9,15,17H,10-13,16H2