ethyl 2-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-fluoro-3-piperidinosulfonyl-benzoyl)oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H27FN2O7S2 MolecularWeight: 574.640883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H27FN2O7S2/c1-2-36-27(33)24-20(18-9-5-3-6-10-18)17-38-25(24)29-23(31)16-37-26(32)19-11-12-21(28)22(15-19)39(34,35)30-13-7-4-8-14-30/h3,5-6,9-12,15,17H,2,4,7-8,13-14,16H2,1H3,(H,29,31)