[2-(dioctadecylcarbamoyl)-4-[(3-ethanoylphenyl)sulfonylamino]naphthalen-1-yl] benzoate

Systemtic Name: [2-(dioctadecylcarbamoyl)-4-[(3-ethanoylphenyl)sulfonylamino]naphthalen-1-yl] benzoate Openeye Name: [4-[(3-acetylphenyl)sulfonylamino]-2-(dioctadecylcarbamoyl)-1-naphthyl] benzoate CAS Name: benzoic acid [4-[(3-acetylphenyl)sulfonylamino]-2-[(dioctadecylamino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: [4-[(3-acetylphenyl)sulfonylamino]-2-(dioctadecylcarbamoyl)naphthalen-1-yl] benzoate Traditional Name: benzoic acid [4-[(3-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(=C1)NS(=O)(=O)C3=CC=CC(=C3)C(=O)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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