5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-hydroxy-benzoic acid CAS Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-hydroxybenzoic acid Traditional Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-hydroxy-benzoic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)OC

InChI

InChI=1S/C18H19NO7S/c1-25-16-7-11-5-6-19(10-12(11)8-17(16)26-2)27(23,24)13-3-4-15(20)14(9-13)18(21)22/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,22)