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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 2-(p-tolylsulfonylamino)butanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]butanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 2-(tosylamino)butyric acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO6S/c1-4-18(22-29(25,26)16-8-5-13(2)6-9-16)21(24)27-15-7-10-17-14(3)11-20(23)28-19(17)12-15/h5-12,18,22H,4H2,1-3H3