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

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

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

Isomeric SMILES

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

InChI

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