(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C

InChI

InChI=1S/C21H20ClNO6S/c1-12-4-5-16(6-13(12)2)30(26,27)23-10-21(25)28-11-15-8-20(24)29-19-7-14(3)18(22)9-17(15)19/h4-9,23H,10-11H2,1-3H3