(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3)C

InChI

InChI=1S/C19H20BrNO6S/c1-12-3-4-15(7-13(12)2)28(23,24)21-10-19(22)27-11-14-8-17-18(9-16(14)20)26-6-5-25-17/h3-4,7-9,21H,5-6,10-11H2,1-2H3