4-[4-(3-iodanylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-iodanylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-iodobenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3-iodophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-iodobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-iodobenzoyl)piperazino]sulfonylbenzonitrile Formula: C18H16IN3O3S MolecularWeight: 481.30741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)I)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)I)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16IN3O3S/c19-16-3-1-2-15(12-16)18(23)21-8-10-22(11-9-21)26(24,25)17-6-4-14(13-20)5-7-17/h1-7,12H,8-11H2