4-[(2-methoxycarbonyl-4-methylsulfonyl-thiophen-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(2-methoxycarbonyl-4-methylsulfonyl-thiophen-3-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(2-methoxycarbonyl-4-methylsulfonyl-3-thienyl)sulfamoyl]benzoic acid CAS Name: 4-[(2-methoxycarbonyl-4-methylsulfonyl-3-thiophenyl)sulfamoyl]benzoic acid IUPAC Name: 4-[(2-methoxycarbonyl-4-methylsulfonylthiophen-3-yl)sulfamoyl]benzoic acid Traditional Name: 4-[(2-carbomethoxy-4-mesyl-3-thienyl)sulfamoyl]benzoic acid Formula: C14H13NO8S3 MolecularWeight: 419.44992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)S(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C(=CS1)S(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO8S3/c1-23-14(18)12-11(10(7-24-12)25(2,19)20)15-26(21,22)9-5-3-8(4-6-9)13(16)17/h3-7,15H,1-2H3,(H,16,17)