N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-[[(2R)-2-oxolanyl]methylsulfamoyl]benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]benzamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C1C[C@@H](OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H28N4O5S/c27-22(24-15-17-6-7-21(23-14-17)26-8-11-30-12-9-26)18-3-1-5-20(13-18)32(28,29)25-16-19-4-2-10-31-19/h1,3,5-7,13-14,19,25H,2,4,8-12,15-16H2,(H,24,27)/p+1/t19-/m1/s1