(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(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) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H31NO6S/c1-6-7-8-19-15-23(28)32-21-13-18(5)14-22(24(19)21)33-26(29)25(16(2)3)27-34(30,31)20-11-9-17(4)10-12-20/h9-16,25,27H,6-8H2,1-5H3/t25-/m0/s1