(5-bromanyl-2-oxidanyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C18H16BrF3N2O4S MolecularWeight: 493.29485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrF3N2O4S/c19-13-3-6-16(25)15(11-13)17(26)23-7-9-24(10-8-23)29(27,28)14-4-1-12(2-5-14)18(20,21)22/h1-6,11,25H,7-10H2