2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanedioic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]propanedioic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioic acid Traditional Name: 2-(naphthionylamino)malonic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O6S/c1-17(2)11-7-3-6-10-9(11)5-4-8-12(10)24(22,23)16-13(14(18)19)15(20)21/h3-8,13,16H,1-2H3,(H,18,19)(H,20,21)