[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-iodanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-iodanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-3-(5-iodo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-iodo-2-furanyl)-2-propenoic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-iodo-2-furyl)acrylic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H20ClIN2O6S MolecularWeight: 578.80507

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C=CC3=CC=C(O3)I

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)/C=C/C3=CC=C(O3)I

InChI

InChI=1S/C20H20ClIN2O6S/c21-16-7-6-15(31(27,28)24-10-2-1-3-11-24)12-17(16)23-19(25)13-29-20(26)9-5-14-4-8-18(22)30-14/h4-9,12H,1-3,10-11,13H2,(H,23,25)/b9-5+