(5-bromanyl-2-methoxy-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (5-bromo-2-methoxy-benzyl) ester Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H21BrN2O6S/c1-13(23)22-16-4-6-17(7-5-16)29(25,26)21-10-9-19(24)28-12-14-11-15(20)3-8-18(14)27-2/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,23)