2-[3-(bromomethyl)-2,4-bis(chloranyl)phenyl]sulfonyl-1-phenoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-[3-(bromomethyl)-2,4-bis(chloranyl)phenyl]sulfonyl-1-phenoxy-pyrrolidine-2-carboxylic acid Openeye Name: 2-[3-(bromomethyl)-2,4-dichloro-phenyl]sulfonyl-1-phenoxy-pyrrolidine-2-carboxylic acid CAS Name: 2-[3-(bromomethyl)-2,4-dichlorophenyl]sulfonyl-1-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 2-[3-(bromomethyl)-2,4-dichlorophenyl]sulfonyl-1-phenoxypyrrolidine-2-carboxylic acid Traditional Name: 2-[3-(bromomethyl)-2,4-dichloro-phenyl]sulfonyl-1-phenoxy-proline Formula: C18H16BrCl2NO5S MolecularWeight: 509.19834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)OC2=CC=CC=C2)(C(=O)O)S(=O)(=O)C3=C(C(=C(C=C3)Cl)CBr)Cl

Isomeric SMILES

C1CC(N(C1)OC2=CC=CC=C2)(C(=O)O)S(=O)(=O)C3=C(C(=C(C=C3)Cl)CBr)Cl

InChI

InChI=1S/C18H16BrCl2NO5S/c19-11-13-14(20)7-8-15(16(13)21)28(25,26)18(17(23)24)9-4-10-22(18)27-12-5-2-1-3-6-12/h1-3,5-8H,4,9-11H2,(H,23,24)