4-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(2-bromo-4-fluoro-phenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2-bromo-4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-bromo-4-fluoro-benzyl)piperazino]sulfonylbenzonitrile Formula: C18H17BrFN3O2S MolecularWeight: 438.313883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrFN3O2S/c19-18-11-16(20)4-3-15(18)13-22-7-9-23(10-8-22)26(24,25)17-5-1-14(12-21)2-6-17/h1-6,11H,7-10,13H2