4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-2-fluoranyl-3-(trifluoromethyl)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-2-fluoranyl-3-(trifluoromethyl)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(1R)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-2-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-benzamide CAS Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-N-[4-[[(2R)-4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-2-fluoro-3-(trifluoromethyl)phenyl]sulfonylbenzamide IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-2-fluoro-3-(trifluoromethyl)phenyl]sulfonylbenzamide Traditional Name: 4-[4-[2-(4-chlorophenyl)benzyl]piperazino]-N-[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-2-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-benzamide Formula: C43H44ClF4N5O3S2 MolecularWeight: 854.417773

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C(=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)F)C(F)(F)F

Isomeric SMILES

CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C(=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)F)C(F)(F)F

InChI

InChI=1S/C43H44ClF4N5O3S2/c1-51(2)23-22-34(29-57-36-9-4-3-5-10-36)49-38-20-21-39(41(45)40(38)43(46,47)48)58(55,56)50-42(54)31-14-18-35(19-15-31)53-26-24-52(25-27-53)28-32-8-6-7-11-37(32)30-12-16-33(44)17-13-30/h3-21,34,49H,22-29H2,1-2H3,(H,50,54)/t34-/m1/s1