5-(2-methylsulfonylethyl)-4,6-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-methylsulfonylethyl)-4,6-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2-methylsulfonylethyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(2-methylsulfonylethyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(2-methylsulfonylethyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-(2-mesylethyl)-1-[3-(trifluoromethyl)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C17H17F3N2O6S MolecularWeight: 434.38689

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H17F3N2O6S/c1-29(27,28)6-5-22-14(23)10-11(15(22)24)13(16(25)26)21-12(10)8-3-2-4-9(7-8)17(18,19)20/h2-4,7,10-13,21H,5-6H2,1H3,(H,25,26)