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

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C16H12F3N3O5S MolecularWeight: 415.34379

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O5S/c1-26-15(23)22-14-20-12-6-5-11(8-13(12)21-14)28(24,25)27-10-4-2-3-9(7-10)16(17,18)19/h2-8H,1H3,(H2,20,21,22,23)