hexadecyl 4-methyl-3-[[4-methylsulfonyl-2-(methylsulfonylamino)phenoxy]methyl]benzoate

Systemtic Name: hexadecyl 4-methyl-3-[[4-methylsulfonyl-2-(methylsulfonylamino)phenoxy]methyl]benzoate Openeye Name: hexadecyl 3-[[2-(methanesulfonamido)-4-methylsulfonyl-phenoxy]methyl]-4-methyl-benzoate CAS Name: 3-[[2-(methanesulfonamido)-4-methylsulfonylphenoxy]methyl]-4-methylbenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[[2-(methanesulfonamido)-4-methylsulfonylphenoxy]methyl]-4-methylbenzoate Traditional Name: 3-[[4-mesyl-2-(methanesulfonamido)phenoxy]methyl]-4-methyl-benzoic acid cetyl ester Formula: C33H51NO7S2 MolecularWeight: 637.89054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C)COC2=C(C=C(C=C2)S(=O)(=O)C)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C)COC2=C(C=C(C=C2)S(=O)(=O)C)NS(=O)(=O)C

InChI

InChI=1S/C33H51NO7S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-40-33(35)28-20-19-27(2)29(24-28)26-41-32-22-21-30(42(3,36)37)25-31(32)34-43(4,38)39/h19-22,24-25,34H,5-18,23,26H2,1-4H3