[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C19H19BrN2O6S MolecularWeight: 483.33296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O6S/c20-14-6-7-17(23)16(12-14)19(25)28-13-18(24)21-8-10-22(11-9-21)29(26,27)15-4-2-1-3-5-15/h1-7,12,23H,8-11,13H2