2-[3,5-dimethyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-(3-oxopiperazin-1-yl)sulfonyl-pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-[(3-oxo-1-piperazinyl)sulfonyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-(3-ketopiperazino)sulfonyl-3,5-dimethyl-pyrazol-1-yl]acetic acid Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C11H16N4O5S/c1-7-11(8(2)15(13-7)6-10(17)18)21(19,20)14-4-3-12-9(16)5-14/h3-6H2,1-2H3,(H,12,16)(H,17,18)