(5-bromanyl-2-methoxy-phenyl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C17H19BrN2O6S MolecularWeight: 459.31156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H19BrN2O6S/c1-24-16-3-2-13(18)8-12(16)11-26-17(21)15-9-14(10-19-15)27(22,23)20-4-6-25-7-5-20/h2-3,8-10,19H,4-7,11H2,1H3