(phenylmethyl) 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 5-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(naphthionylamino)hexanoic acid benzyl ester Formula: C41H57N3O7S MolecularWeight: 735.97218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C41H57N3O7S/c1-44(2)37-27-19-25-35-34(37)24-20-28-38(35)52(49,50)43-36(26-21-30-40(47)51-32-33-22-15-14-16-23-33)41(48)42-39(46)29-17-12-10-8-6-4-3-5-7-9-11-13-18-31-45/h14-16,19-20,22-25,27-28,31,36,43H,3-13,17-18,21,26,29-30,32H2,1-2H3,(H,42,46,48)