3-[5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C15H18N4O5S2 MolecularWeight: 398.45722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=NN2CCC(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=NN2CCC(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H18N4O5S2/c20-13(21)4-6-19-12(3-5-16-19)15(22)17-7-9-18(10-8-17)26(23,24)14-2-1-11-25-14/h1-3,5,11H,4,6-10H2,(H,20,21)