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

Systemtic Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)acetamide Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)CC3=CC=CC=N3

InChI

InChI=1S/C18H23N5O3S/c19-27(25,26)17-6-3-5-15(12-17)21-18(24)14-23-10-8-22(9-11-23)13-16-4-1-2-7-20-16/h1-7,12H,8-11,13-14H2,(H,21,24)(H2,19,25,26)/p+1