[1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26ClFN2O5S MolecularWeight: 496.979343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H26ClFN2O5S/c1-16(23(29)26-21-11-8-18(25)15-20(21)24)32-22(28)12-7-17-5-9-19(10-6-17)33(30,31)27-13-3-2-4-14-27/h5-6,8-11,15-16H,2-4,7,12-14H2,1H3,(H,26,29)