[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C20H20Br2N2O6S MolecularWeight: 576.2556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

InChI

InChI=1S/C20H20Br2N2O6S/c21-13-10-16(19(26)17(22)11-13)20(27)30-12-18(25)23-14-4-6-15(7-5-14)31(28,29)24-8-2-1-3-9-24/h4-7,10-11,26H,1-3,8-9,12H2,(H,23,25)