[2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-[(3-cyano-4,5-diphenyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C33H31N3O6S MolecularWeight: 597.68074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=C(C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=C(C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C33H31N3O6S/c34-22-28-31(25-10-4-1-5-11-25)32(26-12-6-2-7-13-26)42-33(28)35-29(37)23-41-30(38)19-16-24-14-17-27(18-15-24)43(39,40)36-20-8-3-9-21-36/h1-2,4-7,10-15,17-18H,3,8-9,16,19-21,23H2,(H,35,37)