[3,5-bis(trifluoromethyl)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: [3,5-bis(trifluoromethyl)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid [3,5-bis(trifluoromethyl)phenyl] ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid [3,5-bis(trifluoromethyl)phenyl] ester Formula: C17H11F6N3O5S MolecularWeight: 483.341759

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H11F6N3O5S/c1-30-15(27)26-14-24-12-3-2-11(7-13(12)25-14)32(28,29)31-10-5-8(16(18,19)20)4-9(6-10)17(21,22)23/h2-7H,1H3,(H2,24,25,26,27)