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

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6S/c1-5-6-7-18-14-23(27)32-22-15-19(10-13-21(18)22)31-25(28)24(16(2)3)26-33(29,30)20-11-8-17(4)9-12-20/h8-16,24,26H,5-7H2,1-4H3/t24-/m0/s1