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

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-(fluoranylmethyl)butanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-2-(fluoromethyl)butanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-2-(fluoromethyl)butanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-(fluoromethyl)butanoic acid Traditional Name: 2-(fluoromethyl)-2-(naphthionylamino)butyric acid Formula: C17H21FN2O4S MolecularWeight: 368.423043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN2O4S/c1-4-17(11-18,16(21)22)19-25(23,24)15-10-6-7-12-13(15)8-5-9-14(12)20(2)3/h5-10,19H,4,11H2,1-3H3,(H,21,22)