2-(3-methylsulfonylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-methylsulfonylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-methylsulfonylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(3-methylsulfonyl-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-methylsulfonylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-mesylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-21(19,20)7-6-13(16)15-9-11-5-3-2-4-10(11)8-12(15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)