(2R)-2-[3-(4-methylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: (2R)-2-[3-(4-methylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoic acid Openeye Name: (2R)-2-[3-(4-methylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid CAS Name: (2R)-2-[3-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: (2R)-2-[3-(4-methylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid Traditional Name: (2R)-2-[3-(4-mesylpiperazine-1-carbonyl)pyrazol-1-yl]propionic acid Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)O)N1C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C12H18N4O5S/c1-9(12(18)19)16-4-3-10(13-16)11(17)14-5-7-15(8-6-14)22(2,20)21/h3-4,9H,5-8H2,1-2H3,(H,18,19)/t9-/m1/s1