3-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]methyl]-4-fluoro-benzonitrile Formula: C16H15BrFN3O2S2 MolecularWeight: 444.341603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)C#N)F)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)C#N)F)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H15BrFN3O2S2/c17-15-3-4-16(24-15)25(22,23)21-7-5-20(6-8-21)11-13-9-12(10-19)1-2-14(13)18/h1-4,9H,5-8,11H2