tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-(methylsulfonylamino)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-(methylsulfonylamino)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-isobutyl-6-(methanesulfonamido)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-(methanesulfonamido)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(methanesulfonamido)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-isobutyl-1-keto-6-(methanesulfonamido)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C24H37N3O6S MolecularWeight: 495.63208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C24H37N3O6S/c1-8-9-12-32-21-19-13-17(26-34(7,30)31)10-11-18(19)22(28)27(15-16(2)3)20(21)14-25-23(29)33-24(4,5)6/h10-11,13,16,26H,8-9,12,14-15H2,1-7H3,(H,25,29)