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

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[2-[2-(4-carbamimidoylphenoxy)ethanoylamino]ethyl]pyrrolidine-2-carboxamide Openeye Name: N-[2-[[2-(4-carbamimidoylphenoxy)acetyl]amino]ethyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[2-[[2-(4-carbamimidoylphenoxy)-1-oxoethyl]amino]ethyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[[2-(4-carbamimidoylphenoxy)acetyl]amino]ethyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[2-[[2-(4-amidinophenoxy)acetyl]amino]ethyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C34H36Cl2N6O6S MolecularWeight: 727.65724

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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)NCCNC(=O)COC5=CC=C(C=C5)C(=N)N)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C34H36Cl2N6O6S/c1-20-17-21(2)41-32-24(20)5-3-7-28(32)48-18-25-26(35)12-13-29(31(25)36)49(45,46)42-16-4-6-27(42)34(44)40-15-14-39-30(43)19-47-23-10-8-22(9-11-23)33(37)38/h3,5,7-13,17,27H,4,6,14-16,18-19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)