2-[(1R)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[(1R)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[(1R)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[(1R)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[(1R)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[(1R)-2-mesyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S/c1-20-12-6-9-4-5-15(22(3,18)19)11(8-14(16)17)10(9)7-13(12)21-2/h6-7,11H,4-5,8H2,1-3H3,(H,16,17)/t11-/m1/s1