2-[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C24H24ClN5O3S MolecularWeight: 497.99706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H24ClN5O3S/c1-17(2)23-21(16-27-30(23)20-8-5-7-19(25)14-20)24(31)28-10-12-29(13-11-28)34(32,33)22-9-4-3-6-18(22)15-26/h3-9,14,16-17H,10-13H2,1-2H3