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

Systemtic Name: 5-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-(4-tert-butylbenzoyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S2/c1-13-16(19(26)27)21(32-17(13)20(28)29)33(30,31)24-11-9-23(10-12-24)18(25)14-5-7-15(8-6-14)22(2,3)4/h5-8H,9-12H2,1-4H3,(H,26,27)(H,28,29)