4-[[4-(2-cyanoethylsulfonyl)phenyl]sulfonylamino]-N,N-dioctadecyl-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: 4-[[4-(2-cyanoethylsulfonyl)phenyl]sulfonylamino]-N,N-dioctadecyl-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: 4-[[4-(2-cyanoethylsulfonyl)phenyl]sulfonylamino]-1-hydroxy-N,N-dioctadecyl-naphthalene-2-carboxamide CAS Name: 4-[[4-(2-cyanoethylsulfonyl)phenyl]sulfonylamino]-1-hydroxy-N,N-dioctadecyl-2-naphthalenecarboxamide IUPAC Name: 4-[[4-(2-cyanoethylsulfonyl)phenyl]sulfonylamino]-1-hydroxy-N,N-dioctadecylnaphthalene-2-carboxamide Traditional Name: 4-[[4-(2-cyanoethylsulfonyl)phenyl]sulfonylamino]-1-hydroxy-N,N-distearyl-2-naphthamide Formula: C56H89N3O6S2 MolecularWeight: 964.45236

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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=C(C=C3)S(=O)(=O)CCC#N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)CCC#N)O

InChI

InChI=1S/C56H89N3O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-45-59(46-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)56(61)53-48-54(51-38-33-34-39-52(51)55(53)60)58-67(64,65)50-42-40-49(41-43-50)66(62,63)47-37-44-57/h33-34,38-43,48,58,60H,3-32,35-37,45-47H2,1-2H3