6-[(4-phenethylsulfonylphenyl)methyl]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 6-[(4-phenethylsulfonylphenyl)methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[(4-phenethylsulfonylphenyl)methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[(4-phenethylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[(4-phenethylsulfonylphenyl)methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-(4-phenethylsulfonylbenzyl)-4-(trifluoromethyl)coumarin Formula: C25H19F3O4S MolecularWeight: 472.47617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C25H19F3O4S/c26-25(27,28)22-16-24(29)32-23-11-8-19(15-21(22)23)14-18-6-9-20(10-7-18)33(30,31)13-12-17-4-2-1-3-5-17/h1-11,15-16H,12-14H2