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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6S/c1-7-16(4)23(26-33(29,30)19-10-8-14(2)9-11-19)25(28)32-21-13-15(3)12-20-22(21)17(5)18(6)24(27)31-20/h8-13,16,23,26H,7H2,1-6H3