(phenylmethyl) 1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-[(4,5-dibromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[(4,5-dibromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4,5-dibromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(4,5-dibromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C16H15Br2NO4S2 MolecularWeight: 509.2326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=C(S2)Br)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC(=C(S2)Br)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15Br2NO4S2/c17-12-9-14(24-15(12)18)25(21,22)19-8-4-7-13(19)16(20)23-10-11-5-2-1-3-6-11/h1-3,5-6,9,13H,4,7-8,10H2