[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22BrNO6S/c1-2-15-3-5-16(6-4-15)19(24)14-29-21(25)17-7-8-18(22)20(13-17)30(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12,14H2,1H3