N3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluoranyl-phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluoranyl-phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluoro-phenyl]benzene-1,3-disulfonamide CAS Name: N3-[4-(2,6-dimethyl-4-morpholinyl)-3-fluorophenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-(2,6-dimethylmorpholino)-3-fluoro-phenyl]benzene-1,3-disulfonamide Formula: C18H22FN3O5S2 MolecularWeight: 443.512783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N)F

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N)F

InChI

InChI=1S/C18H22FN3O5S2/c1-12-10-22(11-13(2)27-12)18-7-6-14(8-17(18)19)21-29(25,26)16-5-3-4-15(9-16)28(20,23)24/h3-9,12-13,21H,10-11H2,1-2H3,(H2,20,23,24)