(2S)-2-azaniumyl-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate Openeye Name: (2S)-2-azaniumyl-6-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]hexanoate CAS Name: (2S)-2-ammonio-6-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]hexanoate IUPAC Name: (2S)-2-azaniumyl-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate Traditional Name: (2S)-2-ammonio-6-(naphthionylamino)hexanoate Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1