2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-2-18(16,17)13-8-10-6-4-3-5-9(10)7-11(13)12(14)15/h3-6,11H,2,7-8H2,1H3,(H,14,15)