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

Systemtic Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methyl]thiophene-2-sulfonamide Openeye Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]thiophene-2-sulfonamide CAS Name: N-[[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]methyl]-2-thiophenesulfonamide IUPAC Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]methyl]thiophene-2-sulfonamide Traditional Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]thiophene-2-sulfonamide Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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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)CNS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CNS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C26H26N2O6S2/c1-16(2)34-19-8-5-7-17(11-19)26(29)25-21-13-23(33-4)22(32-3)12-20(21)18(14-27-25)15-28-36(30,31)24-9-6-10-35-24/h5-14,16,28H,15H2,1-4H3