2-fluoranyl-6-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-(4-besylpiperazino)-6-fluoro-benzonitrile Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O2S/c18-16-7-4-8-17(15(16)13-19)20-9-11-21(12-10-20)24(22,23)14-5-2-1-3-6-14/h1-8H,9-12H2