3-[(2,4-dimethylphenyl)sulfonylamino]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-[4-(hydroxymethyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-methylolphenyl)-2-thenoic acid Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)CO)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)CO)C(=O)O)C

InChI

InChI=1S/C20H19NO5S2/c1-12-3-8-18(13(2)9-12)28(25,26)21-16-10-17(27-19(16)20(23)24)15-6-4-14(11-22)5-7-15/h3-10,21-22H,11H2,1-2H3,(H,23,24)