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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenyl-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenyl-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylbenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylbenzamide Traditional Name: 2-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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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=C3C4=CC=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c27-23(21-13-5-4-12-20(21)17-8-2-1-3-9-17)25-18-10-6-11-19(16-18)30(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