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

Systemtic Name: 2-[(1S)-2-butylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[(1S)-2-butylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[(1S)-2-butylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[(1S)-2-butylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[(1S)-2-butylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC2=CC(=C(C=C2C1CC(=O)O)OC)OC

Isomeric SMILES

CCCCS(=O)(=O)N1CCC2=CC(=C(C=C2[C@@H]1CC(=O)O)OC)OC

InChI

InChI=1S/C17H25NO6S/c1-4-5-8-25(21,22)18-7-6-12-9-15(23-2)16(24-3)10-13(12)14(18)11-17(19)20/h9-10,14H,4-8,11H2,1-3H3,(H,19,20)/t14-/m0/s1