[2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic 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] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C31H26FN3O6S MolecularWeight: 587.618043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H26FN3O6S/c32-25-15-14-23(18-26(25)42(38,39)35-16-8-3-9-17-35)31(37)40-20-27(36)34-30-24(19-33)28(21-10-4-1-5-11-21)29(41-30)22-12-6-2-7-13-22/h1-2,4-7,10-15,18H,3,8-9,16-17,20H2,(H,34,36)