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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenoxy-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenoxy-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenoxybenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenoxybenzamide Traditional Name: 2-phenoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C23H22N3O4S+ MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c27-23(20-12-4-5-13-21(20)30-18-9-2-1-3-10-18)25-17-8-6-11-19(16-17)31(28,29)26-22-14-7-15-24-22/h1-6,8-13,16H,7,14-15H2,(H,24,26)(H,25,27)/p+1