2-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanoate

Systemtic Name: 2-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanoate Openeye Name: 2-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]acetate CAS Name: 2-[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]acetate IUPAC Name: 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)acetate Formula: C12H18N3O4S- MolecularWeight: 300.35402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)[O-])C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)[O-])C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C12H19N3O4S/c1-9-12(10(2)15(13-9)8-11(16)17)20(18,19)14-6-4-3-5-7-14/h3-8H2,1-2H3,(H,16,17)/p-1