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

Systemtic Name: 5-(4-butylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-butylphenyl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-(4-butylphenyl)-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-butylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-butylphenyl)-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H23NO4S2/c1-3-4-8-16-10-12-17(13-11-16)19-14-18(21(28-19)22(24)25)23-29(26,27)20-9-6-5-7-15(20)2/h5-7,9-14,23H,3-4,8H2,1-2H3,(H,24,25)