2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butanoic acid

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butanoic acid Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butanoic acid CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methylbutanoic acid IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methylbutanoic acid Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butyric acid Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)C(=O)O

InChI

InChI=1S/C17H25NO6S/c1-11(2)14(17(19)20)10-25(21,22)18-6-5-12-7-15(23-3)16(24-4)8-13(12)9-18/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,19,20)