3-nitro-4-(phenylsulfonyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-(phenylsulfonyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(benzenesulfonyl)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(benzenesulfonyl)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(benzenesulfonyl)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-besyl-3-nitro-5-sulfamoyl-benzoic acid Formula: C13H10N2O8S2 MolecularWeight: 386.3571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O8S2/c14-25(22,23)11-7-8(13(16)17)6-10(15(18)19)12(11)24(20,21)9-4-2-1-3-5-9/h1-7H,(H,16,17)(H2,14,22,23)