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

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) 2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]hexanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(tosylamino)hexanoic acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C27H33NO6S MolecularWeight: 499.61902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCCC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCCC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H33NO6S/c1-5-7-9-20-17-25(29)33-23-15-19(4)16-24(26(20)23)34-27(30)22(10-8-6-2)28-35(31,32)21-13-11-18(3)12-14-21/h11-17,22,28H,5-10H2,1-4H3