[3-(4-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [3-(4-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(4-bromophenoxy)-4-oxo-chromen-7-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(4-bromophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-4-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [3-(4-bromophenoxy)-4-keto-chromen-7-yl] ester Formula: C25H20BrNO7S MolecularWeight: 558.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrNO7S/c1-16-2-9-20(10-3-16)35(30,31)27-13-12-24(28)34-19-8-11-21-22(14-19)32-15-23(25(21)29)33-18-6-4-17(26)5-7-18/h2-11,14-15,27H,12-13H2,1H3