[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO6S/c1-14-2-7-17(29(25,26)22-8-10-27-11-9-22)12-18(14)20(24)28-13-19(23)15-3-5-16(21)6-4-15/h2-7,12H,8-11,13H2,1H3