[3-(4-fluorophenyl)-6-methyl-4-oxidanylidene-chromen-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [3-(4-fluorophenyl)-6-methyl-4-oxidanylidene-chromen-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(4-fluorophenyl)-6-methyl-4-oxo-chromen-2-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(4-fluorophenyl)-6-methyl-4-oxo-1-benzopyran-2-yl] ester IUPAC Name: [3-(4-fluorophenyl)-6-methyl-4-oxochromen-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [3-(4-fluorophenyl)-4-keto-6-methyl-chromen-2-yl] ester Formula: C26H22FNO6S MolecularWeight: 495.519383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C(=O)C3=C(O2)C=CC(=C3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C(=O)C3=C(O2)C=CC(=C3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FNO6S/c1-16-3-10-20(11-4-16)35(31,32)28-14-13-23(29)34-26-24(18-6-8-19(27)9-7-18)25(30)21-15-17(2)5-12-22(21)33-26/h3-12,15,28H,13-14H2,1-2H3