1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-hydroxy-proline Formula: C12H14BrNO6S MolecularWeight: 380.21166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)O)Br

InChI

InChI=1S/C12H14BrNO6S/c1-20-11-3-2-8(5-9(11)13)21(18,19)14-6-7(15)4-10(14)12(16)17/h2-3,5,7,10,15H,4,6H2,1H3,(H,16,17)