5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]sulfonyl-3-thenoic acid Formula: C19H24N2O6S3 MolecularWeight: 472.59866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O)C)C

InChI

InChI=1S/C19H24N2O6S3/c1-12-9-13(2)15(4)18(14(12)3)30(26,27)21-7-5-20(6-8-21)29(24,25)17-10-16(11-28-17)19(22)23/h9-11H,5-8H2,1-4H3,(H,22,23)