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

Systemtic Name: 5-chloranyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-nitrobenzamide Traditional Name: 5-chloro-2-nitro-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C17H16ClN4O5S+ MolecularWeight: 423.85074

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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=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S/c18-11-6-7-15(22(24)25)14(9-11)17(23)20-12-3-1-4-13(10-12)28(26,27)21-16-5-2-8-19-16/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21)(H,20,23)/p+1