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

Systemtic Name: 3-fluoranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 4-(4-besylpiperazino)-3-fluoro-benzonitrile Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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