1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-[(4-chlorophenyl)methyl]piperazine

Systemtic Name: 1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-[(4-chlorophenyl)methyl]piperazine Openeye Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-[(4-chlorophenyl)methyl]piperazine CAS Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-[(4-chlorophenyl)methyl]piperazine IUPAC Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-[(4-chlorophenyl)methyl]piperazine Traditional Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-(4-chlorobenzyl)piperazine Formula: C18H17BrClF3N2O3S MolecularWeight: 513.75639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

InChI

InChI=1S/C18H17BrClF3N2O3S/c19-14-3-6-17(16(11-14)28-18(21,22)23)29(26,27)25-9-7-24(8-10-25)12-13-1-4-15(20)5-2-13/h1-6,11H,7-10,12H2