2H-chromen-3-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: 2H-chromen-3-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: 2H-chromen-3-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: 2H-1-benzopyran-3-yl-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: 2H-chromen-3-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: 2H-chromen-3-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H19F3N2O4S/c22-21(23,24)17-6-2-4-8-19(17)31(28,29)26-11-9-25(10-12-26)20(27)16-13-15-5-1-3-7-18(15)30-14-16/h1-8,13H,9-12,14H2