2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N5O2S/c22-14-19-6-4-5-9-21(19)29(27,28)25-12-10-24(11-13-25)16-18-15-23-26(17-18)20-7-2-1-3-8-20/h1-9,15,17H,10-13,16H2