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

Systemtic Name: 3-[5-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C16H22N6O5S MolecularWeight: 410.44808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C16H22N6O5S/c1-12-14(11-18-19(12)2)28(26,27)21-9-7-20(8-10-21)16(25)13-3-5-17-22(13)6-4-15(23)24/h3,5,11H,4,6-10H2,1-2H3,(H,23,24)