3-methylsulfanyl-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one CAS Name: 1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-3-(methylthio)-1-propanone IUPAC Name: 3-methylsulfanyl-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]-3-(methylthio)propan-1-one Formula: C15H20N2O4S2 MolecularWeight: 356.4603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S2/c1-22-11-8-14(18)16-9-5-10-17(16)15(19)12-6-3-4-7-13(12)23(2,20)21/h3-4,6-7H,5,8-11H2,1-2H3