ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxidanylidene-ethanesulfonate

Systemtic Name: ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxidanylidene-ethanesulfonate Openeye Name: ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxo-ethanesulfonate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[3-(3,4-dichlorophenyl)-3-pyrrolidinyl]-2-oxoethanesulfonic acid ethyl ester IUPAC Name: ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxoethanesulfonate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-keto-ethanesulfonic acid ethyl ester Formula: C22H19Cl2F6NO4S MolecularWeight: 578.351979

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOS(=O)(=O)C(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H19Cl2F6NO4S/c1-2-35-36(33,34)19(20(5-6-31-11-20)13-3-4-16(23)17(24)10-13)18(32)12-7-14(21(25,26)27)9-15(8-12)22(28,29)30/h3-4,7-10,19,31H,2,5-6,11H2,1H3