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

Systemtic Name: 1-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]but-2-en-1-one Openeye Name: 1-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]but-2-en-1-one CAS Name: 1-[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-2-buten-1-one IUPAC Name: 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]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)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-3-5-15(19)17-10-4-11-18(17)16(20)12-13-6-8-14(9-7-13)23(2,21)22/h3,5-9H,4,10-12H2,1-2H3