(3-morpholin-4-ylsulfonylphenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H17BrN2O7S MolecularWeight: 485.30578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O7S/c19-16-5-4-14(11-17(16)21(23)24)18(22)28-12-13-2-1-3-15(10-13)29(25,26)20-6-8-27-9-7-20/h1-5,10-11H,6-9,12H2