4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-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]-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]-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]-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]-3-(trifluoromethyl)phenyl]sulfonylbenzamide Traditional Name: 4-[4-[2-(4-chlorophenyl)benzyl]piperazino]-N-[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-(trifluoromethyl)phenyl]sulfonyl-benzamide Formula: C43H45ClF3N5O3S2 MolecularWeight: 836.42731

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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)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)C(F)(F)F

InChI

InChI=1S/C43H45ClF3N5O3S2/c1-50(2)23-22-35(30-56-37-9-4-3-5-10-37)48-41-21-20-38(28-40(41)43(45,46)47)57(54,55)49-42(53)32-14-18-36(19-15-32)52-26-24-51(25-27-52)29-33-8-6-7-11-39(33)31-12-16-34(44)17-13-31/h3-21,28,35,48H,22-27,29-30H2,1-2H3,(H,49,53)/t35-/m1/s1