[2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] 4-bromanylbenzenesulfonate Openeye Name: (3-benzyl-2,5-dioxo-pyrrolidin-1-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl] ester IUPAC Name: (3-benzyl-2,5-dioxopyrrolidin-1-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (3-benzyl-2,5-diketo-pyrrolidino) ester Formula: C17H14BrNO5S MolecularWeight: 424.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)N(C1=O)OS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C17H14BrNO5S/c18-14-6-8-15(9-7-14)25(22,23)24-19-16(20)11-13(17(19)21)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2