4-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O2S/c1-17-21(22(23)28(25-17)19-5-3-2-4-6-19)16-26-11-13-27(14-12-26)31(29,30)20-9-7-18(15-24)8-10-20/h2-10H,11-14,16H2,1H3