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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H18BrNO6S MolecularWeight: 480.32902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C

InChI

InChI=1S/C20H18BrNO6S/c1-12-3-5-16(7-13(12)2)29(25,26)22-10-20(24)27-11-14-8-19(23)28-18-9-15(21)4-6-17(14)18/h3-9,22H,10-11H2,1-2H3