(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C22H23NO6S MolecularWeight: 429.48612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=CC(=CC3=C2C(=CC(=O)O3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=CC(=CC3=C2C(=CC(=O)O3)C)C

InChI

InChI=1S/C22H23NO6S/c1-14-6-8-17(9-7-14)30(26,27)23-10-4-5-20(24)28-18-11-15(2)12-19-22(18)16(3)13-21(25)29-19/h6-9,11-13,23H,4-5,10H2,1-3H3