[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H22F3NO7S MolecularWeight: 561.52629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4

InChI

InChI=1S/C27H22F3NO7S/c1-17-9-12-20(13-10-17)39(34,35)31-15-5-8-23(32)36-19-11-14-21-22(16-19)38-26(27(28,29)30)25(24(21)33)37-18-6-3-2-4-7-18/h2-4,6-7,9-14,16,31H,5,8,15H2,1H3