2-[4-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5-ethyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-ethyl-1-(3-methylphenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[5-ethyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5-ethyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC(=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC(=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H25N5O3S/c1-3-22-21(17-26-29(22)20-9-6-7-18(2)15-20)24(30)27-11-13-28(14-12-27)33(31,32)23-10-5-4-8-19(23)16-25/h4-10,15,17H,3,11-14H2,1-2H3