tert-butyl (NZ)-N-[[4-[2-[[1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]ethyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

Systemtic Name: tert-butyl (NZ)-N-[[4-[2-[[1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]ethyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NZ)-N-[(tert-butoxycarbonylamino)-[4-[2-[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]ethyl]-1-piperidyl]methylene]carbamate CAS Name: (NZ)-N-[[4-[2-[[[1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]ethyl]-1-piperidinyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NZ)-N-[[4-[2-[[1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]ethyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NZ)-N-[(tert-butoxycarbonylamino)-[4-[2-[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]amino]ethyl]piperidino]methylene]carbamic acid tert-butyl ester Formula: C40H52Cl2N6O8S MolecularWeight: 847.84728

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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)NCCC5CCN(CC5)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCC5CCN(CC5)/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)Cl)C=C1

InChI

InChI=1S/C40H52Cl2N6O8S/c1-25-13-14-27-10-8-12-31(34(27)44-25)54-24-28-29(41)15-16-32(33(28)42)57(52,53)48-21-9-11-30(48)35(49)43-20-17-26-18-22-47(23-19-26)36(45-37(50)55-39(2,3)4)46-38(51)56-40(5,6)7/h8,10,12-16,26,30H,9,11,17-24H2,1-7H3,(H,43,49)(H,45,46,50,51)