[3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(4-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(4-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-2-methyl-4-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [3-(4-bromophenoxy)-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H22BrNO7S MolecularWeight: 572.42438

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(=C(O3)C)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(=C(O3)C)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H22BrNO7S/c1-16-3-10-21(11-4-16)36(31,32)28-14-13-24(29)34-20-9-12-22-23(15-20)33-17(2)26(25(22)30)35-19-7-5-18(27)6-8-19/h3-12,15,28H,13-14H2,1-2H3