1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[3-[2-(4-carbamimidoylphenoxy)ethanoylamino]propyl]pyrrolidine-2-carboxamide dihydrochloride

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[3-[2-(4-carbamimidoylphenoxy)ethanoylamino]propyl]pyrrolidine-2-carboxamide dihydrochloride Openeye Name: N-[3-[[2-(4-carbamimidoylphenoxy)acetyl]amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide dihydrochloride CAS Name: N-[3-[[2-(4-carbamimidoylphenoxy)-1-oxoethyl]amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide dihydrochloride IUPAC Name: N-[3-[[2-(4-carbamimidoylphenoxy)acetyl]amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide dihydrochloride Traditional Name: N-[3-[[2-(4-amidinophenoxy)acetyl]amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide dihydrochloride Formula: C35H40Cl4N6O6S MolecularWeight: 814.6057

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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)NCCCNC(=O)COC5=CC=C(C=C5)C(=N)N)Cl)C.Cl.Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCCNC(=O)COC5=CC=C(C=C5)C(=N)N)Cl)C.Cl.Cl

InChI

InChI=1S/C35H38Cl2N6O6S.2ClH/c1-21-18-22(2)42-33-25(21)6-3-8-29(33)49-19-26-27(36)13-14-30(32(26)37)50(46,47)43-17-4-7-28(43)35(45)41-16-5-15-40-31(44)20-48-24-11-9-23(10-12-24)34(38)39;;/h3,6,8-14,18,28H,4-5,7,15-17,19-20H2,1-2H3,(H3,38,39)(H,40,44)(H,41,45);2*1H