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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(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(C(=O)OCC1=C(C=CC(=C1)Br)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=C(C=CC(=C1)Br)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H21BrN2O6S/c1-12(19(24)28-11-14-10-15(20)4-9-18(14)27-3)22-29(25,26)17-7-5-16(6-8-17)21-13(2)23/h4-10,12,22H,11H2,1-3H3,(H,21,23)/t12-/m0/s1