2-[3,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-[(2-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-[(2-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-4-(2-methylpiperidino)sulfonyl-pyrazol-1-yl]acetic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(N(N=C2C)CC(=O)O)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(N(N=C2C)CC(=O)O)C

InChI

InChI=1S/C13H21N3O4S/c1-9-6-4-5-7-16(9)21(19,20)13-10(2)14-15(11(13)3)8-12(17)18/h9H,4-8H2,1-3H3,(H,17,18)