2-[6-(isoquinolin-1-ylsulfonylamino)-7-oxidanylidene-cyclohept-3-en-1-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)propanamide

Systemtic Name: 2-[6-(isoquinolin-1-ylsulfonylamino)-7-oxidanylidene-cyclohept-3-en-1-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)propanamide Openeye Name: N-(2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-2-[6-(1-isoquinolylsulfonylamino)-7-oxo-cyclohept-3-en-1-yl]propanamide CAS Name: N-(2-hydroxy-5-oxo-3-oxolanyl)-2-[6-(1-isoquinolinylsulfonylamino)-7-oxo-1-cyclohept-3-enyl]propanamide IUPAC Name: N-(2-hydroxy-5-oxooxolan-3-yl)-2-[6-(isoquinolin-1-ylsulfonylamino)-7-oxocyclohept-3-en-1-yl]propanamide Traditional Name: N-(2-hydroxy-5-keto-tetrahydrofuran-3-yl)-2-[6-(1-isoquinolylsulfonylamino)-7-keto-cyclohept-3-en-1-yl]propionamide Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC=CCC(C1=O)NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC4CC(=O)OC4O

Isomeric SMILES

CC(C1CC=CCC(C1=O)NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC4CC(=O)OC4O

InChI

InChI=1S/C23H25N3O7S/c1-13(21(29)25-18-12-19(27)33-23(18)30)15-7-4-5-9-17(20(15)28)26-34(31,32)22-16-8-3-2-6-14(16)10-11-24-22/h2-6,8,10-11,13,15,17-18,23,26,30H,7,9,12H2,1H3,(H,25,29)