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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide Formula: C19H18N3O3S2+ MolecularWeight: 400.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O3S2/c23-19(17-11-13-5-1-2-8-16(13)26-17)21-14-6-3-7-15(12-14)27(24,25)22-18-9-4-10-20-18/h1-3,5-8,11-12H,4,9-10H2,(H,20,22)(H,21,23)/p+1