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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

InChI

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