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

Systemtic Name: 3-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(3-oxo-1-piperazinyl)sulfonyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-ketopiperazino)sulfonylpyrazol-1-yl]propionic acid Formula: C10H14N4O5S MolecularWeight: 302.30696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O5S/c15-9-7-14(4-2-11-9)20(18,19)8-5-12-13(6-8)3-1-10(16)17/h5-6H,1-4,7H2,(H,11,15)(H,16,17)