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

Systemtic Name: 2-[4-(2,5-diphenylpyrazol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2,5-diphenyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,5-diphenylpyrazole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C27H23N5O3S/c28-20-22-11-7-8-14-26(22)36(34,35)31-17-15-30(16-18-31)27(33)25-19-24(21-9-3-1-4-10-21)29-32(25)23-12-5-2-6-13-23/h1-14,19H,15-18H2