(3-morpholin-4-ylsulfonylphenyl)methyl 4-(4-bromanylphenoxy)butanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(4-bromanylphenoxy)butanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid (3-morpholinosulfonylbenzyl) ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrNO6S/c22-18-6-8-19(9-7-18)28-12-2-5-21(24)29-16-17-3-1-4-20(15-17)30(25,26)23-10-13-27-14-11-23/h1,3-4,6-9,15H,2,5,10-14,16H2