N-[1-[4-[(2S)-2-azanyl-6-(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-azanyl-6-(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-amino-6-(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-amino-6-(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-amino-6-(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-amino-6-(dimethylamino)hexanoyl]piperazine-1-carbonyl]cyclopentyl]-2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Formula: C38H49Cl2F3N6O7S MolecularWeight: 861.79787

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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)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)Cl)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C36H48Cl2N6O5S.C2HF3O2/c1-24-22-25(2)40-33-26(24)10-9-12-30(33)49-23-27-28(37)13-14-31(32(27)38)50(47,48)41-36(15-6-7-16-36)35(46)44-20-18-43(19-21-44)34(45)29(39)11-5-8-17-42(3)4;3-2(4,5)1(6)7/h9-10,12-14,22,29,41H,5-8,11,15-21,23,39H2,1-4H3;(H,6,7)/t29-;/m0./s1