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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-hydroxy-proline Formula: C12H14BrNO5S MolecularWeight: 364.21226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)O)Br

InChI

InChI=1S/C12H14BrNO5S/c1-7-4-9(2-3-10(7)13)20(18,19)14-6-8(15)5-11(14)12(16)17/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)