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

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-(4-methylsulfonylpiperazin-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-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C14H17BrN2O6S MolecularWeight: 421.26358

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=CC=C(O2)Br

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(O2)Br

InChI

InChI=1S/C14H17BrN2O6S/c1-24(20,21)17-8-6-16(7-9-17)13(18)10-22-14(19)5-3-11-2-4-12(15)23-11/h2-5H,6-10H2,1H3/b5-3+