3-[5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C15H20N6O5S MolecularWeight: 396.4215

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C15H20N6O5S/c1-18-11-12(10-17-18)27(25,26)20-8-6-19(7-9-20)15(24)13-2-4-16-21(13)5-3-14(22)23/h2,4,10-11H,3,5-9H2,1H3,(H,22,23)