4-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonylpiperazino]benzonitrile Formula: C17H15Cl2N3O3S MolecularWeight: 412.2903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O3S/c18-13-9-15(19)17(23)16(10-13)26(24,25)22-7-5-21(6-8-22)14-3-1-12(11-20)2-4-14/h1-4,9-10,23H,5-8H2