4-oxidanylidene-4-[7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Openeye Name: 4-oxo-4-[7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid CAS Name: 4-oxo-4-[7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid IUPAC Name: 4-oxo-4-[7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Traditional Name: 4-keto-4-[7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C13H16N2O6S/c16-12(3-4-13(17)18)15-6-5-9-1-2-11(7-10(9)8-15)14-22(19,20)21/h1-2,7,14H,3-6,8H2,(H,17,18)(H,19,20,21)