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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] (E)-3-(5-methyl-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-methyl-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-methylfuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-methyl-2-furyl)acrylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-16-7-8-17(28-16)9-10-20(24)27-15-19(23)21-11-13-22(14-12-21)29(25,26)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3/b10-9+