N-[1-[4-[(2S)-2-azanyl-6-(dimethylamino)hexanoyl]piperazin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]-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]-2-methyl-1-oxidanylidene-propan-2-yl]-2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[2-[4-[(2S)-2-amino-6-(dimethylamino)hexanoyl]piperazin-1-yl]-1,1-dimethyl-2-oxo-ethyl]-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]-2-methyl-1-oxopropan-2-yl]-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]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-[4-[(2S)-2-amino-6-(dimethylamino)hexanoyl]piperazino]-2-keto-1,1-dimethyl-ethyl]-2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Formula: C36H47Cl2F3N6O7S MolecularWeight: 835.76059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC(C)(C)C(=O)N4CCN(CC4)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)NC(C)(C)C(=O)N4CCN(CC4)C(=O)[C@H](CCCCN(C)C)N)Cl)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H46Cl2N6O5S.C2HF3O2/c1-22-20-23(2)38-31-24(22)10-9-12-28(31)47-21-25-26(35)13-14-29(30(25)36)48(45,46)39-34(3,4)33(44)42-18-16-41(17-19-42)32(43)27(37)11-7-8-15-40(5)6;3-2(4,5)1(6)7/h9-10,12-14,20,27,39H,7-8,11,15-19,21,37H2,1-6H3;(H,6,7)/t27-;/m0./s1