N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-benzamide Formula: C19H20BrFN2O4S MolecularWeight: 471.340503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H20BrFN2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)16-5-3-4-14(8-16)19(24)22-18-7-6-15(20)9-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)/t12-,13-/m0/s1