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

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H20F3NO7S MolecularWeight: 547.49971

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20F3NO7S/c1-16-7-10-19(11-8-16)38(33,34)30-14-13-22(31)35-18-9-12-20-21(15-18)37-25(26(27,28)29)24(23(20)32)36-17-5-3-2-4-6-17/h2-12,15,30H,13-14H2,1H3