[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C23H22F3NO6S MolecularWeight: 497.48409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C23H22F3NO6S/c1-15-6-9-17(10-7-15)34(30,31)27-12-4-2-3-5-21(28)32-16-8-11-18-19(23(24,25)26)14-22(29)33-20(18)13-16/h6-11,13-14,27H,2-5,12H2,1H3