[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-bromanylbenzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O5S/c20-16-6-4-5-15(13-16)19(24)27-14-18(23)21-9-11-22(12-10-21)28(25,26)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2