2-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-methyl-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C17H16F3N5O3S MolecularWeight: 427.40085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(F)(F)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O3S/c1-23-15(17(18,19)20)13(11-22-23)16(26)24-6-8-25(9-7-24)29(27,28)14-5-3-2-4-12(14)10-21/h2-5,11H,6-9H2,1H3