5-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-(4-methylsulfonyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[2-(4-mesyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid Formula: C16H17N3O9S2 MolecularWeight: 459.45088

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O9S2/c1-29(25,26)10-2-4-13(14(9-10)19(23)24)17-6-7-18-30(27,28)11-3-5-15(20)12(8-11)16(21)22/h2-5,8-9,17-18,20H,6-7H2,1H3,(H,21,22)