ethyl 5-phenyl-2-[2-[[5-piperidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[2-[[5-piperidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[2-[5-(1-piperidylsulfonyl)-2-(2,2,2-trifluoroethoxy)anilino]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-(2,2,2-trifluoroethoxy)anilino]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[2-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-[5-piperidinosulfonyl-2-(2,2,2-trifluoroethoxy)anilino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H30F3N3O6S2 MolecularWeight: 625.67951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CNC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OCC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CNC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OCC(F)(F)F

InChI

InChI=1S/C28H30F3N3O6S2/c1-2-39-27(36)21-16-24(19-9-5-3-6-10-19)41-26(21)33-25(35)17-32-22-15-20(11-12-23(22)40-18-28(29,30)31)42(37,38)34-13-7-4-8-14-34/h3,5-6,9-12,15-16,32H,2,4,7-8,13-14,17-18H2,1H3,(H,33,35)