3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propane-1-sulfonic acid Openeye Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propane-1-sulfonic acid CAS Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanesulfonic acid IUPAC Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propane-1-sulfonic acid Traditional Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propane-1-sulfonic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CCCS(=O)(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CCCS(=O)(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H25NO5S/c1-25-18-13-16-9-11-21(10-6-12-27(22,23)24)20(15-7-4-3-5-8-15)17(16)14-19(18)26-2/h3-5,7-8,13-14,20H,6,9-12H2,1-2H3,(H,22,23,24)/t20-/m1/s1