3-[(2-methylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-methylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Openeye Name: 5-(4-methylsulfonylphenyl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 3-[(2-methylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-methylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Traditional Name: 5-(4-mesylphenyl)-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C19H17NO6S3 MolecularWeight: 451.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C19H17NO6S3/c1-12-5-3-4-6-17(12)29(25,26)20-15-11-16(27-18(15)19(21)22)13-7-9-14(10-8-13)28(2,23)24/h3-11,20H,1-2H3,(H,21,22)