1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[1-[2-(4-carbamimidoylphenyl)ethanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide dihydrochloride

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[1-[2-(4-carbamimidoylphenyl)ethanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide dihydrochloride Openeye Name: N-[1-[2-(4-carbamimidoylphenyl)acetyl]-4-piperidyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide dihydrochloride CAS Name: N-[1-[2-(4-carbamimidoylphenyl)-1-oxoethyl]-4-piperidinyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide dihydrochloride IUPAC Name: N-[1-[2-(4-carbamimidoylphenyl)acetyl]piperidin-4-yl]-1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide dihydrochloride Traditional Name: N-[1-[2-(4-amidinophenyl)acetyl]-4-piperidyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide dihydrochloride Formula: C36H40Cl4N6O5S MolecularWeight: 810.617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CC6=CC=C(C=C6)C(=N)N)Cl)C=C1.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CC6=CC=C(C=C6)C(=N)N)Cl)C=C1.Cl.Cl

InChI

InChI=1S/C36H38Cl2N6O5S.2ClH/c1-22-7-10-24-4-2-6-30(34(24)41-22)49-21-27-28(37)13-14-31(33(27)38)50(47,48)44-17-3-5-29(44)36(46)42-26-15-18-43(19-16-26)32(45)20-23-8-11-25(12-9-23)35(39)40;;/h2,4,6-14,26,29H,3,5,15-21H2,1H3,(H3,39,40)(H,42,46);2*1H