N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-sulfamoylphenyl)propanamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-sulfamoylphenyl)propanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-sulfamoylphenyl)propanamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(4-sulfamoylphenyl)propanamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-sulfamoylphenyl)propanamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-sulfamoylphenyl)propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H28N4O3S/c1-16-15-18(25-13-11-24(2)12-14-25)6-9-20(16)23-21(26)10-5-17-3-7-19(8-4-17)29(22,27)28/h3-4,6-9,15H,5,10-14H2,1-2H3,(H,23,26)(H2,22,27,28)/p+1