2-azanyl-3-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylimidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylimidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylimidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-(1-naphthionylimidazol-4-yl)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)N3C=C(N=C3)CC(C(=O)O)N

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3C=C(N=C3)CC(C(=O)O)N

InChI

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