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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(4-bromophenyl)ethanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O5S/c21-17-8-6-16(7-9-17)14-20(25)28-15-19(24)22-10-12-23(13-11-22)29(26,27)18-4-2-1-3-5-18/h1-9H,10-15H2