N-[1-[4-[(2S)-2,6-bis(dimethylamino)hexanoyl]piperazin-1-yl]carbonylcyclopentyl]-2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[1-[4-[(2S)-2,6-bis(dimethylamino)hexanoyl]piperazin-1-yl]carbonylcyclopentyl]-2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[1-[4-[(2S)-2,6-bis(dimethylamino)hexanoyl]piperazine-1-carbonyl]cyclopentyl]-2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid CAS Name: N-[1-[[4-[(2S)-2,6-bis(dimethylamino)-1-oxohexyl]-1-piperazinyl]-oxomethyl]cyclopentyl]-2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[1-[4-[(2S)-2,6-bis(dimethylamino)hexanoyl]piperazine-1-carbonyl]cyclopentyl]-2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[1-[4-[(2S)-2,6-bis(dimethylamino)hexanoyl]piperazine-1-carbonyl]cyclopentyl]-2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Formula: C40H53Cl2F3N6O7S MolecularWeight: 889.85103

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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(=O)C(CCCCN(C)C)N(C)C)Cl)C.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(=O)[C@H](CCCCN(C)C)N(C)C)Cl)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C38H52Cl2N6O5S.C2HF3O2/c1-26-24-27(2)41-35-28(26)12-11-14-32(35)51-25-29-30(39)15-16-33(34(29)40)52(49,50)42-38(17-8-9-18-38)37(48)46-22-20-45(21-23-46)36(47)31(44(5)6)13-7-10-19-43(3)4;3-2(4,5)1(6)7/h11-12,14-16,24,31,42H,7-10,13,17-23,25H2,1-6H3;(H,6,7)/t31-;/m0./s1