ethyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[2-(4-methyl-1-piperazin-4-iumyl)phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N3O4S/c1-3-27-20(24)16-8-10-17(11-9-16)28(25,26)21-18-6-4-5-7-19(18)23-14-12-22(2)13-15-23/h4-11,21H,3,12-15H2,1-2H3/p+1