3-methyl-5-[(phenylmethyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(phenylmethyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(benzylsulfonylamino)-3-methyl-thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(phenylmethyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(benzylsulfonylamino)-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(benzylsulfonylamino)-3-methyl-2-thenoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c1-9-7-11(19-12(9)13(15)16)14-20(17,18)8-10-5-3-2-4-6-10/h2-7,14H,8H2,1H3,(H,15,16)