(2-oxidanylidenechromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (2-oxochromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid (2-ketochromen-7-yl) ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C21H21NO6S/c1-13(2)20(22-29(25,26)17-9-4-14(3)5-10-17)21(24)27-16-8-6-15-7-11-19(23)28-18(15)12-16/h4-13,20,22H,1-3H3