hexadecyl 4-[methyl-[6-(methylsulfonylcarbamoyl)-5-oxidanyl-naphthalen-1-yl]carbamoyl]oxybenzoate

Systemtic Name: hexadecyl 4-[methyl-[6-(methylsulfonylcarbamoyl)-5-oxidanyl-naphthalen-1-yl]carbamoyl]oxybenzoate Openeye Name: hexadecyl 4-[[5-hydroxy-6-(methylsulfonylcarbamoyl)-1-naphthyl]-methyl-carbamoyl]oxybenzoate CAS Name: 4-[[[5-hydroxy-6-[methanesulfonamido(oxo)methyl]-1-naphthalenyl]-methylamino]-oxomethoxy]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-[[5-hydroxy-6-(methylsulfonylcarbamoyl)naphthalen-1-yl]-methylcarbamoyl]oxybenzoate Traditional Name: 4-[[5-hydroxy-6-(mesylcarbamoyl)-1-naphthyl]-methyl-carbamoyl]oxybenzoic acid cetyl ester Formula: C37H50N2O8S MolecularWeight: 682.8665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC3=C2C=CC(=C3O)C(=O)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC3=C2C=CC(=C3O)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C37H50N2O8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-46-36(42)28-21-23-29(24-22-28)47-37(43)39(2)33-20-18-19-31-30(33)25-26-32(34(31)40)35(41)38-48(3,44)45/h18-26,40H,4-17,27H2,1-3H3,(H,38,41)