[4-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]-cyclohexyl-methanone

Systemtic Name: [4-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]-cyclohexyl-methanone Openeye Name: [4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclohexyl-methanone CAS Name: [4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]-cyclohexylmethanone IUPAC Name: [4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclohexylmethanone Traditional Name: [4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazino]-cyclohexyl-methanone Formula: C18H22BrF3N2O4S MolecularWeight: 499.34249

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

InChI

InChI=1S/C18H22BrF3N2O4S/c19-14-6-7-16(15(12-14)28-18(20,21)22)29(26,27)24-10-8-23(9-11-24)17(25)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2