3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 3-[4-(2-pyrimidyl)piperazino]sulfonyl-2-thenoic acid Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=C(SC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=C(SC=C3)C(=O)O

InChI

InChI=1S/C13H14N4O4S2/c18-12(19)11-10(2-9-22-11)23(20,21)17-7-5-16(6-8-17)13-14-3-1-4-15-13/h1-4,9H,5-8H2,(H,18,19)