3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]coumarin Formula: C21H17F3N2O5S MolecularWeight: 466.43029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O5S/c22-21(23,24)15-5-7-16(8-6-15)32(29,30)26-11-9-25(10-12-26)19(27)17-13-14-3-1-2-4-18(14)31-20(17)28/h1-8,13H,9-12H2