1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[3-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]carbonylamino]propyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[3-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]carbonylamino]propyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propyl]pyrrolidine-2-carboxamide CAS Name: N-[3-[[[4-[(Z)-amino(hydroxyimino)methyl]phenyl]-oxomethyl]amino]propyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propyl]pyrrolidine-2-carboxamide Traditional Name: N-[3-[[4-[(Z)-aminocarbohydroximoyl]benzoyl]amino]propyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C33H34Cl2N6O6S MolecularWeight: 713.63066

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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)NCCCNC(=O)C5=CC=C(C=C5)C(=NO)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCCNC(=O)C5=CC=C(C=C5)/C(=N/O)/N)Cl)C=C1

InChI

InChI=1S/C33H34Cl2N6O6S/c1-20-8-9-21-5-2-7-27(30(21)39-20)47-19-24-25(34)14-15-28(29(24)35)48(45,46)41-18-3-6-26(41)33(43)38-17-4-16-37-32(42)23-12-10-22(11-13-23)31(36)40-44/h2,5,7-15,26,44H,3-4,6,16-19H2,1H3,(H2,36,40)(H,37,42)(H,38,43)