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

Systemtic Name: 1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethyl-phenyl]sulfonyl-N-[3-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]carbonylamino]propyl]pyrrolidine-2-carboxamide Openeye Name: 1-[3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2,4-dimethyl-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-[3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]-2,4-dimethylphenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethylphenyl]sulfonyl-N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propyl]pyrrolidine-2-carboxamide Traditional Name: N-[3-[[4-[(Z)-aminocarbohydroximoyl]benzoyl]amino]propyl]-1-[3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2,4-dimethyl-phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C36H42N6O6S MolecularWeight: 686.82028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCNC(=O)C3=CC=C(C=C3)C(=NO)N)C)COC4=CC=CC5=C4N=C(C=C5C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCNC(=O)C3=CC=C(C=C3)/C(=N/O)/N)C)COC4=CC=CC5=C4N=C(C=C5C)C

InChI

InChI=1S/C36H42N6O6S/c1-22-11-16-32(25(4)29(22)21-48-31-10-5-8-28-23(2)20-24(3)40-33(28)31)49(46,47)42-19-6-9-30(42)36(44)39-18-7-17-38-35(43)27-14-12-26(13-15-27)34(37)41-45/h5,8,10-16,20,30,45H,6-7,9,17-19,21H2,1-4H3,(H2,37,41)(H,38,43)(H,39,44)