5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C19H24N2O6S3/c1-19(2,3)15-4-6-16(7-5-15)29(24,25)20-8-10-21(11-9-20)30(26,27)17-12-14(13-28-17)18(22)23/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)