N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: 2-piperidin-1-ium-1-yl-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C17H24N4O3S/c22-17(13-21-10-2-1-3-11-21)19-14-6-4-7-15(12-14)25(23,24)20-16-8-5-9-18-16/h4,6-7,12H,1-3,5,8-11,13H2,(H,18,20)(H,19,22)/p+1