5-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[2-(4-methylsulfonyl-2-nitro-anilino)ethylsulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[2-(4-mesyl-2-nitro-anilino)ethylsulfamoyl]-3-thenoic acid Formula: C14H15N3O8S3 MolecularWeight: 449.4792

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC(=CS2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC(=CS2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O8S3/c1-27(22,23)10-2-3-11(12(7-10)17(20)21)15-4-5-16-28(24,25)13-6-9(8-26-13)14(18)19/h2-3,6-8,15-16H,4-5H2,1H3,(H,18,19)