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

Systemtic Name: tert-butyl (NZ)-N-[[4-[[[1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NZ)-N-[(tert-butoxycarbonylamino)-[4-[[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]methyl]-1-piperidyl]methylene]carbamate CAS Name: (NZ)-N-[[4-[[[[1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]methyl]-1-piperidinyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NZ)-N-[[4-[[[1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NZ)-N-[(tert-butoxycarbonylamino)-[4-[[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]amino]methyl]piperidino]methylene]carbamic acid tert-butyl ester Formula: C39H50Cl2N6O8S MolecularWeight: 833.8207

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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)NCC5CCN(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)NCC5CCN(CC5)/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)Cl)C=C1

InChI

InChI=1S/C39H50Cl2N6O8S/c1-24-13-14-26-10-8-12-30(33(26)43-24)53-23-27-28(40)15-16-31(32(27)41)56(51,52)47-19-9-11-29(47)34(48)42-22-25-17-20-46(21-18-25)35(44-36(49)54-38(2,3)4)45-37(50)55-39(5,6)7/h8,10,12-16,25,29H,9,11,17-23H2,1-7H3,(H,42,48)(H,44,45,49,50)