N-(4-sulfamoylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-sulfamoylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-sulfamoylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-sulfamoylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-sulfamoylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-sulfamoylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C20H24F3N4O3S+ MolecularWeight: 457.48977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N4O3S/c21-20(22,23)15-2-1-3-17(14-15)27-12-10-26(11-13-27)9-8-19(28)25-16-4-6-18(7-5-16)31(24,29)30/h1-7,14H,8-13H2,(H,25,28)(H2,24,29,30)/p+1