N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenyl-thiophene-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenyl-thiophene-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenyl-thiophene-2-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenyl-2-thiophenecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenylthiophene-2-carboxamide Traditional Name: 3-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide Formula: C21H20N3O3S2+ MolecularWeight: 426.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S2/c25-21(20-18(11-13-28-20)15-6-2-1-3-7-15)23-16-8-4-9-17(14-16)29(26,27)24-19-10-5-12-22-19/h1-4,6-9,11,13-14H,5,10,12H2,(H,22,24)(H,23,25)/p+1