5-tert-butyl-3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[(4-chloro-2,5-dimethyl-phenyl)sulfonylamino]thiophene-2-carboxylic acid CAS Name: 5-tert-butyl-3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-tert-butyl-3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[(4-chloro-2,5-dimethyl-phenyl)sulfonylamino]-2-thenoic acid Formula: C17H20ClNO4S2 MolecularWeight: 401.928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C17H20ClNO4S2/c1-9-7-13(10(2)6-11(9)18)25(22,23)19-12-8-14(17(3,4)5)24-15(12)16(20)21/h6-8,19H,1-5H3,(H,20,21)