2-[(1S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[(1S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[(1S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[(1S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[(1S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[(1S)-2-mesyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=CC=CC=C2C1CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-18(16,17)13-7-6-9-4-2-3-5-10(9)11(13)8-12(14)15/h2-5,11H,6-8H2,1H3,(H,14,15)/t11-/m0/s1