2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanenitrile Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]-2-(4-fluorophenyl)acetonitrile Formula: C18H16BrClFN3O2S MolecularWeight: 472.758943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H16BrClFN3O2S/c19-14-3-6-18(16(20)11-14)27(25,26)24-9-7-23(8-10-24)17(12-22)13-1-4-15(21)5-2-13/h1-6,11,17H,7-10H2