1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]pent-4-yn-1-one

Systemtic Name: 1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]pent-4-yn-1-one Openeye Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]pent-4-yn-1-one CAS Name: 1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-4-pentyn-1-one IUPAC Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]pent-4-yn-1-one Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]pent-4-yn-1-one Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-3-4-10-15(19)17-11-7-12-18(17)16(20)13-8-5-6-9-14(13)23(2,21)22/h1,5-6,8-9H,4,7,10-12H2,2H3