3-methyl-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]but-2-en-1-one Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]-3-methyl-but-2-en-1-one Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C)C

Isomeric SMILES

CC(=CC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C)C

InChI

InChI=1S/C16H20N2O4S/c1-12(2)11-15(19)17-9-6-10-18(17)16(20)13-7-4-5-8-14(13)23(3,21)22/h4-5,7-8,11H,6,9-10H2,1-3H3