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

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] (E)-3-(5-iodanylfuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] (E)-3-(5-iodo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-iodo-2-furanyl)-2-propenoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-iodo-2-furyl)acrylic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C20H21IN2O6S MolecularWeight: 544.36001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21IN2O6S/c21-18-9-7-16(29-18)8-10-20(25)28-14-19(24)22-15-5-4-6-17(13-15)30(26,27)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,22,24)/b10-8+