(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: (4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (4-ethyl-7-methyl-2-oxo-chromen-5-yl) 2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]hexanoic acid (4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-ethyl-7-methyl-2-oxochromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(tosylamino)hexanoic acid (4-ethyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=CC(=CC2=C1C(=CC(=O)O2)CC)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(C(=O)OC1=CC(=CC2=C1C(=CC(=O)O2)CC)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H29NO6S/c1-5-7-8-20(26-33(29,30)19-11-9-16(3)10-12-19)25(28)32-22-14-17(4)13-21-24(22)18(6-2)15-23(27)31-21/h9-15,20,26H,5-8H2,1-4H3