6-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate

Systemtic Name: 6-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate Openeye Name: 6-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate CAS Name: 6-[[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate Traditional Name: 6-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate Formula: C20H19F3N3O4S- MolecularWeight: 454.44277

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

InChI

InChI=1S/C20H20F3N3O4S/c21-20(22,23)13-5-8-17(26-9-3-1-2-4-10-26)16(11-13)25-31(28,29)14-6-7-15-18(12-14)30-19(27)24-15/h5-8,11-12,25H,1-4,9-10H2,(H,24,27)/p-1