methyl 2-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

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