(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C17H21BrN2O6S MolecularWeight: 461.32744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H21BrN2O6S/c18-14-4-3-13(17(22)26-12-16(21)19-5-1-2-6-19)11-15(14)27(23,24)20-7-9-25-10-8-20/h3-4,11H,1-2,5-10,12H2