4-chloranyl-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid CAS Name: 4-chloro-3-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[2-(4-mesyl-2-nitro-anilino)ethylsulfamoyl]benzoic acid Formula: C16H16ClN3O8S2 MolecularWeight: 477.89654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O8S2/c1-29(25,26)11-3-5-13(14(9-11)20(23)24)18-6-7-19-30(27,28)15-8-10(16(21)22)2-4-12(15)17/h2-5,8-9,18-19H,6-7H2,1H3,(H,21,22)