tert-butyl N-[N'-[2-[[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[2-[[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N-tert-butoxycarbonyl-N'-[2-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]ethyl]carbamimidoyl]carbamate CAS Name: N-[2-[[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]ethylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[2-[[1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N-tert-butoxycarbonyl-N'-[2-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]amino]ethyl]amidino]carbamic acid tert-butyl ester Formula: C36H46Cl2N6O8S MolecularWeight: 793.75684

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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)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cl)C

InChI

InChI=1S/C36H46Cl2N6O8S/c1-21-19-22(2)41-30-23(21)11-9-13-27(30)50-20-24-25(37)14-15-28(29(24)38)53(48,49)44-18-10-12-26(44)31(45)39-16-17-40-32(42-33(46)51-35(3,4)5)43-34(47)52-36(6,7)8/h9,11,13-15,19,26H,10,12,16-18,20H2,1-8H3,(H,39,45)(H2,40,42,43,46,47)