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

Systemtic Name: 7-methoxy-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]coumarin Formula: C22H21F3N2O5S MolecularWeight: 482.47275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O5S/c1-31-17-4-7-19-15(12-21(28)32-20(19)13-17)14-26-8-10-27(11-9-26)33(29,30)18-5-2-16(3-6-18)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3