3-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]carbonyl-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 3-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]carbonyl-N'-oxidanyl-benzenecarboximidamide Openeye Name: 3-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-N'-hydroxy-benzamidine CAS Name: 3-[[4-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-oxomethyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 3-[4-[1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 3-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]piperazine-1-carbonyl]-N'-hydroxy-benzamidine Formula: C35H36Cl2N6O6S MolecularWeight: 739.66794

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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)N5CCN(CC5)C(=O)C6=CC=CC(=C6)C(=NO)N)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)N5CCN(CC5)C(=O)C6=CC=CC(=C6)/C(=N/O)/N)Cl)C

InChI

InChI=1S/C35H36Cl2N6O6S/c1-21-18-22(2)39-32-25(21)8-4-10-29(32)49-20-26-27(36)11-12-30(31(26)37)50(47,48)43-13-5-9-28(43)35(45)42-16-14-41(15-17-42)34(44)24-7-3-6-23(19-24)33(38)40-46/h3-4,6-8,10-12,18-19,28,46H,5,9,13-17,20H2,1-2H3,(H2,38,40)