3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-(4-o-phenetylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propionamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H28N4O4S/c1-2-29-20-6-4-3-5-19(20)25-15-13-24(14-16-25)12-11-21(26)23-17-7-9-18(10-8-17)30(22,27)28/h3-10H,2,11-16H2,1H3,(H,23,26)(H2,22,27,28)/p+1