4-chloranyl-3-nitro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-3-nitro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide Openeye Name: 4-chloro-3-nitro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide CAS Name: 4-chloro-3-nitro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-3-nitro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide Formula: C13H12ClN3O6S2 MolecularWeight: 405.83388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C13H12ClN3O6S2/c14-12-6-5-11(7-13(12)17(18)19)25(22,23)16-8-9-1-3-10(4-2-9)24(15,20)21/h1-7,16H,8H2,(H2,15,20,21)