2-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylpyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylpyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]acetic acid CAS Name: 2-[4-[(3-oxo-1-piperazinyl)sulfonyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-(3-ketopiperazino)sulfonylpyrazol-1-yl]acetic acid Formula: C9H12N4O5S MolecularWeight: 288.28038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CN(N=C2)CC(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CN(N=C2)CC(=O)O

InChI

InChI=1S/C9H12N4O5S/c14-8-5-13(2-1-10-8)19(17,18)7-3-11-12(4-7)6-9(15)16/h3-4H,1-2,5-6H2,(H,10,14)(H,15,16)