4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-(4-iodophenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-(4-iodophenyl)sulfonylpiperazino]benzonitrile Formula: C17H16IN3O2S MolecularWeight: 453.29731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3O2S/c18-15-3-7-17(8-4-15)24(22,23)21-11-9-20(10-12-21)16-5-1-14(13-19)2-6-16/h1-8H,9-12H2