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

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C26H31NO6S MolecularWeight: 485.59244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6S/c1-5-6-7-19-15-25(28)33-24-16-20(10-13-22(19)24)32-26(29)23(14-17(2)3)27-34(30,31)21-11-8-18(4)9-12-21/h8-13,15-17,23,27H,5-7,14H2,1-4H3