4-nitro-2-[(5-nitro-2-sulfamoyl-phenyl)methyl]benzenesulfonamide

Systemtic Name: 4-nitro-2-[(5-nitro-2-sulfamoyl-phenyl)methyl]benzenesulfonamide Openeye Name: 4-nitro-2-[(5-nitro-2-sulfamoyl-phenyl)methyl]benzenesulfonamide CAS Name: 4-nitro-2-[(5-nitro-2-sulfamoylphenyl)methyl]benzenesulfonamide IUPAC Name: 4-nitro-2-[(5-nitro-2-sulfamoylphenyl)methyl]benzenesulfonamide Traditional Name: 4-nitro-2-(5-nitro-2-sulfamoyl-benzyl)benzenesulfonamide Formula: C13H12N4O8S2 MolecularWeight: 416.38638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C13H12N4O8S2/c14-26(22,23)12-3-1-10(16(18)19)6-8(12)5-9-7-11(17(20)21)2-4-13(9)27(15,24)25/h1-4,6-7H,5H2,(H2,14,22,23)(H2,15,24,25)