3-methyl-1-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]but-2-en-1-one Traditional Name: 1-[2-[2-(4-mesylphenyl)acetyl]pyrazolidin-1-yl]-3-methyl-but-2-en-1-one Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CC(=CC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C17H22N2O4S/c1-13(2)11-16(20)18-9-4-10-19(18)17(21)12-14-5-7-15(8-6-14)24(3,22)23/h5-8,11H,4,9-10,12H2,1-3H3