3-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)propanoic acid

Systemtic Name: 3-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)propanoic acid Openeye Name: 3-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanoic acid Traditional Name: 3-(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)propionic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C13H21N3O4S/c1-10-13(11(2)16(14-10)9-6-12(17)18)21(19,20)15-7-4-3-5-8-15/h3-9H2,1-2H3,(H,17,18)