[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H25BrN2O6S MolecularWeight: 525.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H25BrN2O6S/c1-14-10-15(2)21(16(3)11-14)24-20(26)13-31-22(27)17-4-5-18(23)19(12-17)32(28,29)25-6-8-30-9-7-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,26)