3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoate

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoate Openeye Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoate CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoate IUPAC Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoate Traditional Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propionate Formula: C14H18NO6S- MolecularWeight: 328.36082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C14H19NO6S/c1-20-12-7-10-3-5-15(9-11(10)8-13(12)21-2)22(18,19)6-4-14(16)17/h7-8H,3-6,9H2,1-2H3,(H,16,17)/p-1