1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine Formula: C19H19ClF3NO4S MolecularWeight: 449.87167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)OC

InChI

InChI=1S/C19H19ClF3NO4S/c1-27-17-8-5-12(10-18(17)28-2)16-4-3-9-24(16)29(25,26)13-6-7-15(20)14(11-13)19(21,22)23/h5-8,10-11,16H,3-4,9H2,1-2H3