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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-methyl-butanoic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-methyl-butanoic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-methylbutanoic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-methylbutanoic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-methyl-butyric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-10(2)13(14(17)18)15-21(19,20)16-8-7-11-5-3-4-6-12(11)9-16/h3-6,10,13,15H,7-9H2,1-2H3,(H,17,18)