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

Systemtic Name: ethyl 4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-3-23-13-15-24(16-14-23)20-8-6-5-7-19(20)22-29(26,27)18-11-9-17(10-12-18)21(25)28-4-2/h5-12,22H,3-4,13-16H2,1-2H3/p+1