1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]sulfonylanthracene-9,10-dione

Systemtic Name: 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]sulfonylanthracene-9,10-dione Openeye Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidyl]sulfonyl]anthracene-9,10-dione CAS Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl]sulfonyl]anthracene-9,10-dione IUPAC Name: 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]sulfonylanthracene-9,10-dione Traditional Name: 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-piperidino]sulfonyl-9,10-anthraquinone Formula: C26H19ClF3NO5S MolecularWeight: 549.94597

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)S(=O)(=O)C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)S(=O)(=O)C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H19ClF3NO5S/c27-20-9-8-15(14-19(20)26(28,29)30)25(34)10-12-31(13-11-25)37(35,36)21-7-3-6-18-22(21)24(33)17-5-2-1-4-16(17)23(18)32/h1-9,14,34H,10-13H2