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

Systemtic Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioic acid Openeye Name: (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]pentanedioic acid CAS Name: (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]pentanedioic acid IUPAC Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioic acid Traditional Name: (2S)-2-(naphthionylamino)glutaric acid Formula: C17H20N2O6S MolecularWeight: 390.37821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[14C@@H]([14CH2][14CH2][14C](=O)O)[14C](=O)O

InChI

InChI=1S/C17H20N2O6S/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)18-13(17(22)23)9-10-16(20)21/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23)/t13-/m0/s1/i9+2,10+2,13+2,16+2,17+2