pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone

Systemtic Name: pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone Openeye Name: pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone CAS Name: 1-pyrrolidinyl-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone IUPAC Name: pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone Traditional Name: pyrrolidino-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S/c22-21(23,24)17-4-3-5-18(13-17)31(28,29)26-10-11-30-19-7-6-15(12-16(19)14-26)20(27)25-8-1-2-9-25/h3-7,12-13H,1-2,8-11,14H2