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

Systemtic Name: 2-butyl-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]propanedioic acid Openeye Name: 2-butyl-2-[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]propanedioic acid CAS Name: 2-butyl-2-[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]ethyl]propanedioic acid IUPAC Name: 2-butyl-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]propanedioic acid Traditional Name: 2-butyl-2-[2-(naphthionylamino)ethyl]malonic acid Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S/c1-4-5-12-21(19(24)25,20(26)27)13-14-22-30(28,29)18-11-7-8-15-16(18)9-6-10-17(15)23(2)3/h6-11,22H,4-5,12-14H2,1-3H3,(H,24,25)(H,26,27)