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

Systemtic Name: 1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]but-2-en-1-one Openeye Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]but-2-en-1-one CAS Name: 1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-buten-1-one IUPAC Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]but-2-en-1-one Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]but-2-en-1-one Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-3-7-14(18)16-10-6-11-17(16)15(19)12-8-4-5-9-13(12)22(2,20)21/h3-5,7-9H,6,10-11H2,1-2H3