ethyl 5-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-fluoro-3-piperidinosulfonyl-benzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27FN2O7S MolecularWeight: 494.533083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H27FN2O7S/c1-4-32-23(29)20-14(2)21(25-15(20)3)18(27)13-33-22(28)16-8-9-17(24)19(12-16)34(30,31)26-10-6-5-7-11-26/h8-9,12,25H,4-7,10-11,13H2,1-3H3