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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-(phenylsulfonylamino)isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(benzenesulfonamido)-4-butoxy-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(benzenesulfonamido)-4-butoxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(benzenesulfonamido)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(benzenesulfonamido)-4-butoxy-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C29H39N3O6S MolecularWeight: 557.70146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C29H39N3O6S/c1-7-8-16-37-26-24-17-21(31-39(35,36)22-12-10-9-11-13-22)14-15-23(24)27(33)32(19-20(2)3)25(26)18-30-28(34)38-29(4,5)6/h9-15,17,20,31H,7-8,16,18-19H2,1-6H3,(H,30,34)