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

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C18H23BrN2O7S MolecularWeight: 491.35342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23BrN2O7S/c1-13(17(22)20-4-8-26-9-5-20)28-18(23)14-2-3-15(19)16(12-14)29(24,25)21-6-10-27-11-7-21/h2-3,12-13H,4-11H2,1H3