4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C25H29N4O4S+ MolecularWeight: 481.58716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C25H28N4O4S/c1-18-3-7-22(15-19(18)2)28-34(31,32)23-8-5-21(6-9-23)25(30)27-17-20-4-10-24(26-16-20)29-11-13-33-14-12-29/h3-10,15-16,28H,11-14,17H2,1-2H3,(H,27,30)/p+1