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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(2-thienyl)butanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-4-(2-thienyl)butyramide Formula: C18H22N3O3S2+ MolecularWeight: 392.51558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C18H21N3O3S2/c22-18(10-2-6-15-7-4-12-25-15)20-14-5-1-8-16(13-14)26(23,24)21-17-9-3-11-19-17/h1,4-5,7-8,12-13H,2-3,6,9-11H2,(H,19,21)(H,20,22)/p+1