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

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[1-[2-(4-carbamimidoylphenoxy)ethanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-[1-[2-(4-carbamimidoylphenoxy)acetyl]-4-piperidyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[1-[2-(4-carbamimidoylphenoxy)-1-oxoethyl]-4-piperidinyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[2-(4-carbamimidoylphenoxy)acetyl]piperidin-4-yl]-1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[1-[2-(4-amidinophenoxy)acetyl]-4-piperidyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C36H38Cl2N6O6S MolecularWeight: 753.69452

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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)COC6=CC=C(C=C6)C(=N)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)COC6=CC=C(C=C6)C(=N)N)Cl)C=C1

InChI

InChI=1S/C36H38Cl2N6O6S/c1-22-7-8-23-4-2-6-30(34(23)41-22)50-20-27-28(37)13-14-31(33(27)38)51(47,48)44-17-3-5-29(44)36(46)42-25-15-18-43(19-16-25)32(45)21-49-26-11-9-24(10-12-26)35(39)40/h2,4,6-14,25,29H,3,5,15-21H2,1H3,(H3,39,40)(H,42,46)