(5-ethanoyl-2-methoxy-phenyl)methyl 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[(4-bromophenyl)sulfonylamino]-3-hydroxy-propanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate Traditional Name: 2-(brosylamino)-3-hydroxy-propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C19H20BrNO7S MolecularWeight: 486.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C(CO)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C(CO)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrNO7S/c1-12(23)13-3-8-18(27-2)14(9-13)11-28-19(24)17(10-22)21-29(25,26)16-6-4-15(20)5-7-16/h3-9,17,21-22H,10-11H2,1-2H3