(3-iodanylphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-iodanylphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-iodophenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-iodophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-iodophenyl)methanone Traditional Name: (4-besylpiperazino)-(3-iodophenyl)methanone Formula: C17H17IN2O3S MolecularWeight: 456.29795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)I)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)I)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17IN2O3S/c18-15-6-4-5-14(13-15)17(21)19-9-11-20(12-10-19)24(22,23)16-7-2-1-3-8-16/h1-8,13H,9-12H2