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

Systemtic Name: 1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]but-3-en-1-one Openeye Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]but-3-en-1-one CAS Name: 1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-3-buten-1-one IUPAC Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]but-3-en-1-one Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]but-3-en-1-one Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CC=C

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CC=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/h3-5,8-9H,1,6-7,10-11H2,2H3