1-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]-2-[4-[(E)-diazanylidenemethyl]phenyl]ethanone dihydrochloride

Systemtic Name: 1-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]-2-[4-[(E)-diazanylidenemethyl]phenyl]ethanone dihydrochloride Openeye Name: (1E)-4-[2-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]-2-oxo-ethyl]benzaldehyde hydrazone dihydrochloride CAS Name: (1E)-4-[2-[4-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-2-oxoethyl]benzaldehyde hydrazone dihydrochloride IUPAC Name: 1-[4-[1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]-2-[4-[(E)-hydrazinylidenemethyl]phenyl]ethanone dihydrochloride Traditional Name: (1E)-4-[2-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]piperazino]-2-keto-ethyl]benzaldehyde hydrazone dihydrochloride Formula: C36H40Cl4N6O5S MolecularWeight: 810.617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)N5CCN(CC5)C(=O)CC6=CC=C(C=C6)C=NN)Cl)C.Cl.Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)N5CCN(CC5)C(=O)CC6=CC=C(C=C6)/C=N/N)Cl)C.Cl.Cl

InChI

InChI=1S/C36H38Cl2N6O5S.2ClH/c1-23-19-24(2)41-35-27(23)5-3-7-31(35)49-22-28-29(37)12-13-32(34(28)38)50(47,48)44-14-4-6-30(44)36(46)43-17-15-42(16-18-43)33(45)20-25-8-10-26(11-9-25)21-40-39;;/h3,5,7-13,19,21,30H,4,6,14-18,20,22,39H2,1-2H3;2*1H/b40-21+;;