O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]hexanedioate CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanedioate Traditional Name: 2-(naphthionylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C41H59N3O7S MolecularWeight: 737.98806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C41H59N3O7S/c1-4-5-6-7-8-9-10-11-12-13-17-23-33(30-39(42)45)51-40(46)29-20-26-36(41(47)50-31-32-21-15-14-16-22-32)43-52(48,49)38-28-19-24-34-35(38)25-18-27-37(34)44(2)3/h14-16,18-19,21-22,24-25,27-28,33,36,43H,4-13,17,20,23,26,29-31H2,1-3H3,(H2,42,45)