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

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C19H28N4O3S/c24-19(15-23-12-4-2-1-3-5-13-23)21-16-8-6-9-17(14-16)27(25,26)22-18-10-7-11-20-18/h6,8-9,14H,1-5,7,10-13,15H2,(H,20,22)(H,21,24)/p+1