4-[1-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]carbonyl-N'-[3-(dimethylamino)propyl]piperazine-1-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[1-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]carbonyl-N'-[3-(dimethylamino)propyl]piperazine-1-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]-N'-[3-(dimethylamino)propyl]piperazine-1-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]-oxomethyl]-N'-[3-(dimethylamino)propyl]-1-piperazinecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]-N'-[3-(dimethylamino)propyl]piperazine-1-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]-N'-[3-(dimethylamino)propyl]piperazine-1-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C40H48Cl2F9N7O10S MolecularWeight: 1060.806649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=NCCCN(C)C)N)Cl)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=NCCCN(C)C)N)Cl)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H45Cl2N7O4S.3C2HF3O2/c1-23-21-24(2)39-31-25(23)9-7-10-28(31)47-22-26-27(35)11-12-29(30(26)36)48(45,46)40-34(13-5-6-14-34)32(44)42-17-19-43(20-18-42)33(37)38-15-8-16-41(3)4;3*3-2(4,5)1(6)7/h7,9-12,21,40H,5-6,8,13-20,22H2,1-4H3,(H2,37,38);3*(H,6,7)