5-[(5-butyl-2-methyl-phenyl)sulfonyl-phenyl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[(5-butyl-2-methyl-phenyl)sulfonyl-phenyl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(N-(5-butyl-2-methyl-phenyl)sulfonylanilino)thiophene-2-carboxylic acid CAS Name: 5-(N-(5-butyl-2-methylphenyl)sulfonylanilino)-2-thiophenecarboxylic acid IUPAC Name: 5-(N-(5-butyl-2-methylphenyl)sulfonylanilino)thiophene-2-carboxylic acid Traditional Name: 5-(N-(5-butyl-2-methyl-phenyl)sulfonylanilino)-2-thenoic acid Formula: C22H23NO4S2 MolecularWeight: 429.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(S3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(S3)C(=O)O

InChI

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