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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-methoxy-proline Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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