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

Systemtic Name: 2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-propyl-propanedioic acid Openeye Name: 2-[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]-2-propyl-propanedioic acid CAS Name: 2-[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]ethyl]-2-propylpropanedioic acid IUPAC Name: 2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-propylpropanedioic acid Traditional Name: 2-[2-(naphthionylamino)ethyl]-2-propyl-malonic acid Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCC(CCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H26N2O6S/c1-4-11-20(18(23)24,19(25)26)12-13-21-29(27,28)17-10-6-7-14-15(17)8-5-9-16(14)22(2)3/h5-10,21H,4,11-13H2,1-3H3,(H,23,24)(H,25,26)