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

Systemtic Name: 3-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-(4-tosylpiperazine-1-carbonyl)pyrazol-1-yl]propionic acid Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C18H22N4O5S/c1-14-2-4-15(5-3-14)28(26,27)21-12-10-20(11-13-21)18(25)16-6-8-19-22(16)9-7-17(23)24/h2-6,8H,7,9-13H2,1H3,(H,23,24)