4-cyano-N-[3-[2-ethyl-2-methyl-1-[2-oxidanyl-4-oxidanylidene-5,5-bis(phenylmethyl)furan-3-yl]butyl]phenyl]-N-methyl-benzenesulfonamide

Systemtic Name: 4-cyano-N-[3-[2-ethyl-2-methyl-1-[2-oxidanyl-4-oxidanylidene-5,5-bis(phenylmethyl)furan-3-yl]butyl]phenyl]-N-methyl-benzenesulfonamide Openeye Name: 4-cyano-N-[3-[1-(5,5-dibenzyl-2-hydroxy-4-oxo-3-furyl)-2-ethyl-2-methyl-butyl]phenyl]-N-methyl-benzenesulfonamide CAS Name: 4-cyano-N-[3-[2-ethyl-1-[2-hydroxy-4-oxo-5,5-bis(phenylmethyl)-3-furanyl]-2-methylbutyl]phenyl]-N-methylbenzenesulfonamide IUPAC Name: 4-cyano-N-[3-[1-(5,5-dibenzyl-2-hydroxy-4-oxofuran-3-yl)-2-ethyl-2-methylbutyl]phenyl]-N-methylbenzenesulfonamide Traditional Name: 4-cyano-N-[3-[1-(5,5-dibenzyl-2-hydroxy-4-keto-3-furyl)-2-ethyl-2-methyl-butyl]phenyl]-N-methyl-benzenesulfonamide Formula: C39H40N2O5S MolecularWeight: 648.8103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(C1=CC(=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=C(OC(C3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)O

Isomeric SMILES

CCC(C)(CC)C(C1=CC(=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=C(OC(C3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C39H40N2O5S/c1-5-38(3,6-2)35(31-18-13-19-32(24-31)41(4)47(44,45)33-22-20-30(27-40)21-23-33)34-36(42)39(46-37(34)43,25-28-14-9-7-10-15-28)26-29-16-11-8-12-17-29/h7-24,35,43H,5-6,25-26H2,1-4H3