[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C27H24ClF3N2O5S MolecularWeight: 581.00307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C27H24ClF3N2O5S/c28-20-11-14-23(22(17-20)27(29,30)31)32-25(34)24(18-7-3-1-4-8-18)38-26(35)19-9-12-21(13-10-19)39(36,37)33-15-5-2-6-16-33/h1,3-4,7-14,17,24H,2,5-6,15-16H2,(H,32,34)