N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C18H21F3N5O3S+ MolecularWeight: 444.45125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N5O3S/c19-18(20,21)13-4-5-16(23-11-13)26-8-6-25(7-9-26)12-17(27)24-14-2-1-3-15(10-14)30(22,28)29/h1-5,10-11H,6-9,12H2,(H,24,27)(H2,22,28,29)/p+1