3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[[5-(3-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazino]sulfonylbenzonitrile Formula: C22H20FN3O2S2 MolecularWeight: 441.541503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H20FN3O2S2/c23-19-5-2-4-18(14-19)22-8-7-20(29-22)16-25-9-11-26(12-10-25)30(27,28)21-6-1-3-17(13-21)15-24/h1-8,13-14H,9-12,16H2