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

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-N-methyl-pyrrolidine-2-carboxamide dihydrochloride Openeye Name: N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-methyl-pyrrolidine-2-carboxamide dihydrochloride CAS Name: N-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-N-methyl-2-pyrrolidinecarboxamide dihydrochloride IUPAC Name: N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide dihydrochloride Traditional Name: N-[3-[(4-amidinobenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-methyl-pyrrolidine-2-carboxamide dihydrochloride Formula: C35H40Cl4N6O5S MolecularWeight: 798.6063

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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)N(C)CCCNC(=O)C5=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)N(C)CCCNC(=O)C5=CC=C(C=C5)C(=N)N)Cl)C.Cl.Cl

InChI

InChI=1S/C35H38Cl2N6O5S.2ClH/c1-21-19-22(2)41-32-25(21)7-4-9-29(32)48-20-26-27(36)14-15-30(31(26)37)49(46,47)43-18-5-8-28(43)35(45)42(3)17-6-16-40-34(44)24-12-10-23(11-13-24)33(38)39;;/h4,7,9-15,19,28H,5-6,8,16-18,20H2,1-3H3,(H3,38,39)(H,40,44);2*1H