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

Systemtic Name: 3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-[2-(3-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(3-methylsulfonylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-[2-[(3-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(3-methylsulfonylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(3-mesylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C19H21ClN4O4S/c1-13-16(18(20)22(2)21-13)8-9-17(25)23-10-5-11-24(23)19(26)14-6-4-7-15(12-14)29(3,27)28/h4,6-9,12H,5,10-11H2,1-3H3