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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C23H22N3O3S2+ MolecularWeight: 452.56908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

InChI

InChI=1S/C23H21N3O3S2/c27-23(20-13-16-11-10-15-5-1-2-8-19(15)22(16)30-20)25-17-6-3-7-18(14-17)31(28,29)26-21-9-4-12-24-21/h1-3,5-8,13-14H,4,9-12H2,(H,24,26)(H,25,27)/p+1