3-[5-[4-(phenylsulfonyl)piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[4-(phenylsulfonyl)piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(benzenesulfonyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-(benzenesulfonyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-(4-besylpiperazine-1-carbonyl)pyrazol-1-yl]propionic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=NN2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=NN2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O5S/c22-16(23)7-9-21-15(6-8-18-21)17(24)19-10-12-20(13-11-19)27(25,26)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,22,23)