N-[2-(2-acetamidophenyl)ethyl]-4-(4-dodecylphenyl)sulfonyl-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[2-(2-acetamidophenyl)ethyl]-4-(4-dodecylphenyl)sulfonyl-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[2-(2-acetamidophenyl)ethyl]-4-(4-dodecylphenyl)sulfonyl-1-hydroxy-naphthalene-2-carboxamide CAS Name: N-[2-(2-acetamidophenyl)ethyl]-4-(4-dodecylphenyl)sulfonyl-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: N-[2-(2-acetamidophenyl)ethyl]-4-(4-dodecylphenyl)sulfonyl-1-hydroxynaphthalene-2-carboxamide Traditional Name: N-[2-(2-acetamidophenyl)ethyl]-1-hydroxy-4-(4-laurylphenyl)sulfonyl-2-naphthamide Formula: C39H48N2O5S MolecularWeight: 656.87382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)NCCC4=CC=CC=C4NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)NCCC4=CC=CC=C4NC(=O)C

InChI

InChI=1S/C39H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-17-30-22-24-32(25-23-30)47(45,46)37-28-35(38(43)34-20-15-14-19-33(34)37)39(44)40-27-26-31-18-13-16-21-36(31)41-29(2)42/h13-16,18-25,28,43H,3-12,17,26-27H2,1-2H3,(H,40,44)(H,41,42)