3-bromanyl-N-[9-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzenesulfonamide

Systemtic Name: 3-bromanyl-N-[9-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 3-bromo-N-[9-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: 3-bromo-N-[9-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 3-bromo-N-[9-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 3-bromo-N-[9-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzenesulfonamide Formula: C16H14BrF3N2O3S MolecularWeight: 451.25817

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2CN1)NS(=O)(=O)C3=CC(=CC=C3)Br)C(F)(F)F

Isomeric SMILES

C1COC2=C(C=C(C=C2CN1)NS(=O)(=O)C3=CC(=CC=C3)Br)C(F)(F)F

InChI

InChI=1S/C16H14BrF3N2O3S/c17-11-2-1-3-13(7-11)26(23,24)22-12-6-10-9-21-4-5-25-15(10)14(8-12)16(18,19)20/h1-3,6-8,21-22H,4-5,9H2