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

Systemtic Name: 5-aminocarbonyl-4-pentyl-imidazole-1-sulfonic acid Openeye Name: 5-carbamoyl-4-pentyl-imidazole-1-sulfonic acid CAS Name: 5-carbamoyl-4-pentyl-1-imidazolesulfonic acid IUPAC Name: 5-carbamoyl-4-pentylimidazole-1-sulfonic acid Traditional Name: 4-amyl-5-carbamoyl-imidazole-1-sulfonic acid Formula: C9H15N3O4S MolecularWeight: 261.2981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C=N1)S(=O)(=O)O)C(=O)N

Isomeric SMILES

CCCCCC1=C(N(C=N1)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C9H15N3O4S/c1-2-3-4-5-7-8(9(10)13)12(6-11-7)17(14,15)16/h6H,2-5H2,1H3,(H2,10,13)(H,14,15,16)