(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: (3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (3,4,7-trimethyl-2-oxo-chromen-5-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid (3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (3,4,7-trimethyl-2-oxochromen-5-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid (2-keto-3,4,7-trimethyl-chromen-5-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC(=CC3=C2C(=C(C(=O)O3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC(=CC3=C2C(=C(C(=O)O3)C)C)C

InChI

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