5-aminocarbonyl-4-hexadecyl-imidazole-1-sulfonate

Systemtic Name: 5-aminocarbonyl-4-hexadecyl-imidazole-1-sulfonate Openeye Name: 5-carbamoyl-4-hexadecyl-imidazole-1-sulfonate CAS Name: 5-carbamoyl-4-hexadecyl-1-imidazolesulfonate IUPAC Name: 5-carbamoyl-4-hexadecylimidazole-1-sulfonate Traditional Name: 5-carbamoyl-4-cetyl-imidazole-1-sulfonate Formula: C20H36N3O4S- MolecularWeight: 414.58254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(N(C=N1)S(=O)(=O)[O-])C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(N(C=N1)S(=O)(=O)[O-])C(=O)N

InChI

InChI=1S/C20H37N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20(21)24)23(17-22-18)28(25,26)27/h17H,2-16H2,1H3,(H2,21,24)(H,25,26,27)/p-1