N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-keto-4H-1,4-benzoxazine-6-sulfonamide Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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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)OCC(=O)N4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H22F3N3O4S/c22-21(23,24)14-5-7-18(27-9-3-1-2-4-10-27)16(11-14)26-32(29,30)15-6-8-19-17(12-15)25-20(28)13-31-19/h5-8,11-12,26H,1-4,9-10,13H2,(H,25,28)