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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)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-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H19BrN2O7S MolecularWeight: 499.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H19BrN2O7S/c1-12(23)22-14-2-4-15(5-3-14)30(25,26)21-10-19(24)29-11-13-8-17-18(9-16(13)20)28-7-6-27-17/h2-5,8-9,21H,6-7,10-11H2,1H3,(H,22,23)