N-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methanesulfonamide

Systemtic Name: N-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methanesulfonamide Openeye Name: N-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methanesulfonamide CAS Name: N-[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]methanesulfonamide IUPAC Name: N-[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]methanesulfonamide Traditional Name: N-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methanesulfonamide Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)NS(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)NS(=O)(=O)C

InChI

InChI=1S/C22H24N2O6S/c1-13(2)30-15-8-6-7-14(9-15)22(25)21-17-11-20(29-4)19(28-3)10-16(17)18(12-23-21)24-31(5,26)27/h6-13,24H,1-5H3