1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-methoxy-proline Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5S/c1-8-3-4-9(14)5-12(8)21(18,19)15-7-10(20-2)6-11(15)13(16)17/h3-5,10-11H,6-7H2,1-2H3,(H,16,17)