2-[(2R)-4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl 4-chloranylbenzenesulfonate

Systemtic Name: 2-[(2R)-4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl 4-chloranylbenzenesulfonate Openeye Name: 2-[(2R)-4-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid 2-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl ester IUPAC Name: 2-[(2R)-4-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid 2-[(2R)-4-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl ester Formula: C27H20Cl3F6NO5S MolecularWeight: 690.865819

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(CCOS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CO[C@](CN1C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(CCOS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H20Cl3F6NO5S/c28-20-2-4-21(5-3-20)43(39,40)42-9-7-25(17-1-6-22(29)23(30)14-17)15-37(8-10-41-25)24(38)16-11-18(26(31,32)33)13-19(12-16)27(34,35)36/h1-6,11-14H,7-10,15H2/t25-/m0/s1