4-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5O3S/c1-17-10-11-24-27(17)20-6-4-19(5-7-20)22(28)25-12-14-26(15-13-25)31(29,30)21-8-2-18(16-23)3-9-21/h2-11H,12-15H2,1H3