2-chloranyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]benzonitrile CAS Name: 2-chloro-6-[4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenoxy]benzonitrile IUPAC Name: 2-chloro-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]benzonitrile Traditional Name: 2-chloro-6-[4-[4-(2-pyrimidyl)piperazino]sulfonylphenoxy]benzonitrile Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

InChI

InChI=1S/C21H18ClN5O3S/c22-19-3-1-4-20(18(19)15-23)30-16-5-7-17(8-6-16)31(28,29)27-13-11-26(12-14-27)21-24-9-2-10-25-21/h1-10H,11-14H2