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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-thienyl)propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-3-(3-thienyl)propionamide Formula: C17H20N3O3S2+ MolecularWeight: 378.489

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CSC=C3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CSC=C3

InChI

InChI=1S/C17H19N3O3S2/c21-17(7-6-13-8-10-24-12-13)19-14-3-1-4-15(11-14)25(22,23)20-16-5-2-9-18-16/h1,3-4,8,10-12H,2,5-7,9H2,(H,18,20)(H,19,21)/p+1