2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H28N4O4S/c1-29-20-5-3-2-4-19(20)25-14-12-24(13-15-25)16-21(26)23-11-10-17-6-8-18(9-7-17)30(22,27)28/h2-9H,10-16H2,1H3,(H,23,26)(H2,22,27,28)/p+1