[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H20BrNO7S MolecularWeight: 498.3443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C20H20BrNO7S/c1-27-19-6-5-14(12-17(19)21)18(23)13-29-20(24)15-3-2-4-16(11-15)30(25,26)22-7-9-28-10-8-22/h2-6,11-12H,7-10,13H2,1H3