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

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]butanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]butanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid Traditional Name: 2-(naphthionylamino)butyric acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

CCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C16H20N2O4S/c1-4-13(16(19)20)17-23(21,22)15-10-6-7-11-12(15)8-5-9-14(11)18(2)3/h5-10,13,17H,4H2,1-3H3,(H,19,20)