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

Systemtic Name: [2-(dioctadecylcarbamoyl)-4-[(2-ethanoylphenyl)sulfonylamino]naphthalen-1-yl] 3-bromanylbenzoate Openeye Name: [4-[(2-acetylphenyl)sulfonylamino]-2-(dioctadecylcarbamoyl)-1-naphthyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(2-acetylphenyl)sulfonylamino]-2-[(dioctadecylamino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: [4-[(2-acetylphenyl)sulfonylamino]-2-(dioctadecylcarbamoyl)naphthalen-1-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(2-acetylphenyl)sulfonylamino]-2-(distearylcarbamoyl)-1-naphthyl] ester Formula: C62H91BrN2O6S MolecularWeight: 1072.36474

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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=C3C(=O)C)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C62H91BrN2O6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38-47-65(48-39-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)61(67)57-50-58(64-72(69,70)59-46-37-36-43-54(59)51(3)66)55-44-34-35-45-56(55)60(57)71-62(68)52-41-40-42-53(63)49-52/h34-37,40-46,49-50,64H,4-33,38-39,47-48H2,1-3H3