2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(naphthionylamino)propionic acid Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C18H20N4O4S/c1-22(2)16-7-3-6-14-13(16)5-4-8-17(14)27(25,26)21-15(18(23)24)9-12-10-19-11-20-12/h3-8,10-11,15,21H,9H2,1-2H3,(H,19,20)(H,23,24)