7,8-dimethyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]coumarin Formula: C23H23F3N2O4S MolecularWeight: 480.49993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C

InChI

InChI=1S/C23H23F3N2O4S/c1-15-7-8-18-17(13-21(29)32-22(18)16(15)2)14-27-9-11-28(12-10-27)33(30,31)20-6-4-3-5-19(20)23(24,25)26/h3-8,13H,9-12,14H2,1-2H3