3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid

Systemtic Name: 3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid Openeye Name: 3-methyl-2-[(5-methyl-2-thienyl)sulfonylamino]benzoic acid CAS Name: 3-methyl-2-[(5-methyl-2-thiophenyl)sulfonylamino]benzoic acid IUPAC Name: 3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid Traditional Name: 3-methyl-2-[(5-methyl-2-thienyl)sulfonylamino]benzoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC=C(S2)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC=C(S2)C)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c1-8-4-3-5-10(13(15)16)12(8)14-20(17,18)11-7-6-9(2)19-11/h3-7,14H,1-2H3,(H,15,16)