1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[5-[(4-carbamimidoylphenyl)carbonylamino]pentyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[5-[(4-carbamimidoylphenyl)carbonylamino]pentyl]pyrrolidine-2-carboxamide Openeye Name: N-[5-[(4-carbamimidoylbenzoyl)amino]pentyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]pentyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[5-[(4-carbamimidoylbenzoyl)amino]pentyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[5-[(4-amidinobenzoyl)amino]pentyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C36H40Cl2N6O5S MolecularWeight: 739.711

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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)NCCCCCNC(=O)C5=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)NCCCCCNC(=O)C5=CC=C(C=C5)C(=N)N)Cl)C

InChI

InChI=1S/C36H40Cl2N6O5S/c1-22-20-23(2)43-33-26(22)8-6-10-30(33)49-21-27-28(37)15-16-31(32(27)38)50(47,48)44-19-7-9-29(44)36(46)42-18-5-3-4-17-41-35(45)25-13-11-24(12-14-25)34(39)40/h6,8,10-16,20,29H,3-5,7,9,17-19,21H2,1-2H3,(H3,39,40)(H,41,45)(H,42,46)