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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C17H21BrN2O7S MolecularWeight: 477.32684

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H21BrN2O7S/c18-14-2-1-13(11-15(14)28(23,24)20-5-9-26-10-6-20)17(22)27-12-16(21)19-3-7-25-8-4-19/h1-2,11H,3-10,12H2