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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

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