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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3

InChI

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