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

Systemtic Name: 3-[(4-pentylphenyl)methylsulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-pentylphenyl)methylsulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-pentylphenyl)methylsulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-pentylphenyl)methylsulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-amylbenzyl)sulfonylamino]-5-phenyl-2-thenoic acid Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4S2/c1-2-3-5-8-17-11-13-18(14-12-17)16-30(27,28)24-20-15-21(29-22(20)23(25)26)19-9-6-4-7-10-19/h4,6-7,9-15,24H,2-3,5,8,16H2,1H3,(H,25,26)