hexadecyl 3-[[4,4-dimethyl-2-[4-methylsulfonyl-2-(methylsulfonylamino)phenoxy]-3-oxidanylidene-pentanoyl]amino]-4-propan-2-yloxy-benzoate

Systemtic Name: hexadecyl 3-[[4,4-dimethyl-2-[4-methylsulfonyl-2-(methylsulfonylamino)phenoxy]-3-oxidanylidene-pentanoyl]amino]-4-propan-2-yloxy-benzoate Openeye Name: hexadecyl 4-isopropoxy-3-[[2-[2-(methanesulfonamido)-4-methylsulfonyl-phenoxy]-4,4-dimethyl-3-oxo-pentanoyl]amino]benzoate CAS Name: 3-[[2-[2-(methanesulfonamido)-4-methylsulfonylphenoxy]-4,4-dimethyl-1,3-dioxopentyl]amino]-4-propan-2-yloxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[[2-[2-(methanesulfonamido)-4-methylsulfonylphenoxy]-4,4-dimethyl-3-oxopentanoyl]amino]-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-[[3-keto-2-[4-mesyl-2-(methanesulfonamido)phenoxy]-4,4-dimethyl-pentanoyl]amino]benzoic acid cetyl ester Formula: C41H64N2O10S2 MolecularWeight: 809.08426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC(C)C)NC(=O)C(C(=O)C(C)(C)C)OC2=C(C=C(C=C2)S(=O)(=O)C)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC(C)C)NC(=O)C(C(=O)C(C)(C)C)OC2=C(C=C(C=C2)S(=O)(=O)C)NS(=O)(=O)C

InChI

InChI=1S/C41H64N2O10S2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-51-40(46)31-23-25-35(52-30(2)3)33(28-31)42-39(45)37(38(44)41(4,5)6)53-36-26-24-32(54(7,47)48)29-34(36)43-55(8,49)50/h23-26,28-30,37,43H,9-22,27H2,1-8H3,(H,42,45)