methyl 5-[(2S)-2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27FN2O7S/c1-13-19(23(29)32-4)14(2)25-20(13)21(27)15(3)33-22(28)16-8-9-17(24)18(12-16)34(30,31)26-10-6-5-7-11-26/h8-9,12,15,25H,5-7,10-11H2,1-4H3/t15-/m0/s1