7-methyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C22H22F3N2O4S+ MolecularWeight: 467.48129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H21F3N2O4S/c1-15-6-7-17-16(13-21(28)31-19(17)12-15)14-26-8-10-27(11-9-26)32(29,30)20-5-3-2-4-18(20)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3/p+1