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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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