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

Systemtic Name: 4-fluoranyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[(4-besylpiperazino)methyl]-4-fluoro-benzonitrile Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)C#N)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)C#N)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18FN3O2S/c19-18-7-6-15(13-20)12-16(18)14-21-8-10-22(11-9-21)25(23,24)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2