2-chloranyl-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]-1,4-naphthoquinone Formula: C21H16ClF3N2O4S MolecularWeight: 484.87595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H16ClF3N2O4S/c22-17-18(20(29)14-6-2-1-5-13(14)19(17)28)26-9-11-27(12-10-26)32(30,31)16-8-4-3-7-15(16)21(23,24)25/h1-8H,9-12H2