N-decyl-N-[[4,5-dicyano-2-[[decyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-decyl-N-[[4,5-dicyano-2-[[decyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-decyl-N-[[4,5-dicyano-2-[[decyl(p-tolylsulfonyl)amino]methyl]phenyl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-decyl-N-[[4,5-dicyano-2-[[decyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-decyl-N-[[4,5-dicyano-2-[[decyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-decyl-N-[4,5-dicyano-2-[[decyl(tosyl)amino]methyl]benzyl]-4-methyl-benzenesulfonamide Formula: C44H62N4O4S2 MolecularWeight: 775.11748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CC1=C(C=C(C(=C1)C#N)C#N)CN(CCCCCCCCCC)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCN(CC1=C(C=C(C(=C1)C#N)C#N)CN(CCCCCCCCCC)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C44H62N4O4S2/c1-5-7-9-11-13-15-17-19-29-47(53(49,50)43-25-21-37(3)22-26-43)35-41-31-39(33-45)40(34-46)32-42(41)36-48(30-20-18-16-14-12-10-8-6-2)54(51,52)44-27-23-38(4)24-28-44/h21-28,31-32H,5-20,29-30,35-36H2,1-4H3