N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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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)NC(=O)O4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

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)