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

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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