3-[(4-pentylphenyl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-pentylphenyl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-pentylphenyl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-pentylphenyl)sulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-pentylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-amylphenyl)sulfonylamino]-5-phenyl-2-thenoic acid Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23NO4S2/c1-2-3-5-8-16-11-13-18(14-12-16)29(26,27)23-19-15-20(28-21(19)22(24)25)17-9-6-4-7-10-17/h4,6-7,9-15,23H,2-3,5,8H2,1H3,(H,24,25)