pentyl 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate

Systemtic Name: pentyl 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: pentyl 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid pentyl ester IUPAC Name: pentyl 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dihydrobenzimidazole-5-sulfonic acid amyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOS(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2

Isomeric SMILES

CCCCCOS(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2

InChI

InChI=1S/C12H16N2O4S/c1-2-3-4-7-18-19(16,17)9-5-6-10-11(8-9)14-12(15)13-10/h5-6,8H,2-4,7H2,1H3,(H2,13,14,15)