N-[1-[4-[(3S)-3,6-bis(azanyl)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-[(3S)-3,6-bis(azanyl)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: 2,4-dichloro-N-[1-[4-[(3S)-3,6-diaminohexanoyl]piperazine-1-carbonyl]cyclopentyl]-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid CAS Name: 2,4-dichloro-N-[1-[[4-[(3S)-3,6-diamino-1-oxohexyl]-1-piperazinyl]-oxomethyl]cyclopentyl]-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2,4-dichloro-N-[1-[4-[(3S)-3,6-diaminohexanoyl]piperazine-1-carbonyl]cyclopentyl]-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Traditional Name: 2,4-dichloro-N-[1-[4-[(3S)-3,6-diaminohexanoyl]piperazine-1-carbonyl]cyclopentyl]-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Formula: C36H45Cl2F3N6O7S MolecularWeight: 833.74471

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

InChI

InChI=1S/C34H44Cl2N6O5S.C2HF3O2/c1-22-19-23(2)39-32-25(22)8-5-9-28(32)47-21-26-27(35)10-11-29(31(26)36)48(45,46)40-34(12-3-4-13-34)33(44)42-17-15-41(16-18-42)30(43)20-24(38)7-6-14-37;3-2(4,5)1(6)7/h5,8-11,19,24,40H,3-4,6-7,12-18,20-21,37-38H2,1-2H3;(H,6,7)/t24-;/m0./s1