2-[[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(2,5-dichlorophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C18H17Cl2N3O2S MolecularWeight: 410.31748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O2S/c19-16-5-6-17(20)18(11-16)26(24,25)23-9-7-22(8-10-23)13-15-4-2-1-3-14(15)12-21/h1-6,11H,7-10,13H2