2-[4-(2-bromanyl-5-sulfamoyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(2-bromanyl-5-sulfamoyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(2-bromo-5-sulfamoyl-benzoyl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(2-bromo-5-sulfamoylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(2-bromo-5-sulfamoylbenzoyl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(2-bromo-5-sulfamoyl-benzoyl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C16H24BrN4O4S+ MolecularWeight: 448.35516

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br

InChI

InChI=1S/C16H23BrN4O4S/c1-2-5-19-15(22)11-20-6-8-21(9-7-20)16(23)13-10-12(26(18,24)25)3-4-14(13)17/h3-4,10H,2,5-9,11H2,1H3,(H,19,22)(H2,18,24,25)/p+1