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

Systemtic Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C11H13NO4S/c1-17(15,16)12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)