3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazino]propionic acid Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C12H20N4O4S/c1-9-12(10(2)14-13-9)21(19,20)16-7-5-15(6-8-16)4-3-11(17)18/h3-8H2,1-2H3,(H,13,14)(H,17,18)