2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C23H23N5O3S MolecularWeight: 449.52542

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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=CC=C4C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C23H23N5O3S/c1-17-15-18(2)28(25-17)21-9-7-19(8-10-21)23(29)26-11-13-27(14-12-26)32(30,31)22-6-4-3-5-20(22)16-24/h3-10,15H,11-14H2,1-2H3