1-(5-bromanyl-2-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)sulfonylproline Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C12H14BrNO4S/c1-8-4-5-9(13)7-11(8)19(17,18)14-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6H2,1H3,(H,15,16)