5-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid

Systemtic Name: 5-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-(4-ethylbenzoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-(4-ethylbenzoyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-(4-ethylbenzoyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C20H22N2O7S2 MolecularWeight: 466.52788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C20H22N2O7S2/c1-3-13-4-6-14(7-5-13)17(23)21-8-10-22(11-9-21)31(28,29)20-15(18(24)25)12(2)16(30-20)19(26)27/h4-7H,3,8-11H2,1-2H3,(H,24,25)(H,26,27)