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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]hexanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(tosylamino)hexanoic acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C28H26ClNO6S MolecularWeight: 540.02714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H26ClNO6S/c1-3-4-10-24(30-37(33,34)20-13-11-18(2)12-14-20)28(32)36-26-17-25-22(15-23(26)29)21(16-27(31)35-25)19-8-6-5-7-9-19/h5-9,11-17,24,30H,3-4,10H2,1-2H3