1-[3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-oxo-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-oxo-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-[4-(2-thienylsulfonyl)piperazino]propyl]pyrazole-4-carboxylic acid Formula: C15H18N4O5S2 MolecularWeight: 398.45722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C=C(C=N2)C(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C=C(C=N2)C(=O)O)S(=O)(=O)C3=CC=CS3

InChI

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