[2-(dioctadecylcarbamoyl)-3-[(2-ethanoylphenyl)sulfonylamino]naphthalen-1-yl] benzoate

Systemtic Name: [2-(dioctadecylcarbamoyl)-3-[(2-ethanoylphenyl)sulfonylamino]naphthalen-1-yl] benzoate Openeye Name: [3-[(2-acetylphenyl)sulfonylamino]-2-(dioctadecylcarbamoyl)-1-naphthyl] benzoate CAS Name: benzoic acid [3-[(2-acetylphenyl)sulfonylamino]-2-[(dioctadecylamino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: [3-[(2-acetylphenyl)sulfonylamino]-2-(dioctadecylcarbamoyl)naphthalen-1-yl] benzoate Traditional Name: benzoic acid [3-[(2-acetylphenyl)sulfonylamino]-2-(distearylcarbamoyl)-1-naphthyl] ester Formula: C62H92N2O6S MolecularWeight: 993.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=C(C2=CC=CC=C2C=C1NS(=O)(=O)C3=CC=CC=C3C(=O)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=C(C2=CC=CC=C2C=C1NS(=O)(=O)C3=CC=CC=C3C(=O)C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C62H92N2O6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-41-49-64(50-42-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)61(66)59-57(63-71(68,69)58-48-40-39-46-55(58)52(3)65)51-54-45-37-38-47-56(54)60(59)70-62(67)53-43-35-34-36-44-53/h34-40,43-48,51,63H,4-33,41-42,49-50H2,1-3H3