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

Systemtic Name: 4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]benzoic acid Openeye Name: 4-[2-(4-methylsulfonyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid CAS Name: 4-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid IUPAC Name: 4-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid Traditional Name: 4-[2-(4-mesyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid Formula: C16H17N3O8S2 MolecularWeight: 443.45148

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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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O8S2/c1-28(24,25)13-6-7-14(15(10-13)19(22)23)17-8-9-18-29(26,27)12-4-2-11(3-5-12)16(20)21/h2-7,10,17-18H,8-9H2,1H3,(H,20,21)