(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C25H28ClNO6S MolecularWeight: 506.01092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28ClNO6S/c1-3-7-18-14-25(29)32-22-16-23(21(26)15-20(18)22)33-24(28)8-5-4-6-13-27-34(30,31)19-11-9-17(2)10-12-19/h9-12,14-16,27H,3-8,13H2,1-2H3