[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C17H16F2N2O6S MolecularWeight: 414.380546

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H16F2N2O6S/c18-13-2-1-11(7-14(13)19)16(22)10-27-17(23)15-8-12(9-20-15)28(24,25)21-3-5-26-6-4-21/h1-2,7-9,20H,3-6,10H2