5-aminocarbonyl-4-octadecyl-imidazole-1-sulfonic acid

Systemtic Name: 5-aminocarbonyl-4-octadecyl-imidazole-1-sulfonic acid Openeye Name: 5-carbamoyl-4-octadecyl-imidazole-1-sulfonic acid CAS Name: 5-carbamoyl-4-octadecyl-1-imidazolesulfonic acid IUPAC Name: 5-carbamoyl-4-octadecylimidazole-1-sulfonic acid Traditional Name: 5-carbamoyl-4-stearyl-imidazole-1-sulfonic acid Formula: C22H41N3O4S MolecularWeight: 443.64364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(N(C=N1)S(=O)(=O)O)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(N(C=N1)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C22H41N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(22(23)26)25(19-24-20)30(27,28)29/h19H,2-18H2,1H3,(H2,23,26)(H,27,28,29)