3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Openeye Name: 3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid CAS Name: 3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(3-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CCCS(=O)(=O)O

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1CCCS(=O)(=O)O

InChI

InChI=1S/C14H19NO5S/c1-20-14(16)13-9-11-5-2-3-6-12(11)10-15(13)7-4-8-21(17,18)19/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,18,19)