3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-methylsulfonylethanoyl)pyrazolidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-methylsulfonylethanoyl)pyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-methylsulfonylacetyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-[2-(2-methylsulfonyl-1-oxoethyl)-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(2-methylsulfonylacetyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-mesylacetyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C14H19ClN4O4S MolecularWeight: 374.84306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CS(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CS(=O)(=O)C)Cl)C

InChI

InChI=1S/C14H19ClN4O4S/c1-10-11(14(15)17(2)16-10)5-6-12(20)18-7-4-8-19(18)13(21)9-24(3,22)23/h5-6H,4,7-9H2,1-3H3