[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic 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)C=CC2=CC=C(O2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)/C=C/C2=CC=C(O2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O6S/c20-17-8-6-15(28-17)7-9-19(24)27-14-18(23)21-10-12-22(13-11-21)29(25,26)16-4-2-1-3-5-16/h1-9H,10-14H2/b9-7+