2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-oxidanyl-butanoic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-oxidanyl-butanoic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-hydroxy-butanoic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-hydroxybutanoic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-hydroxybutanoic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-hydroxy-butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NS(=O)(=O)N1CCC2=CC=CC=C2C1)O

Isomeric SMILES

CC(C(C(=O)O)NS(=O)(=O)N1CCC2=CC=CC=C2C1)O

InChI

InChI=1S/C13H18N2O5S/c1-9(16)12(13(17)18)14-21(19,20)15-7-6-10-4-2-3-5-11(10)8-15/h2-5,9,12,14,16H,6-8H2,1H3,(H,17,18)