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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[4-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c22-17(12-3-1-4-14(11-12)21(23)24)19-13-6-8-15(9-7-13)27(25,26)20-16-5-2-10-18-16/h1,3-4,6-9,11H,2,5,10H2,(H,18,20)(H,19,22)