N-(2-adamantylideneamino)-4-[[methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzamide

Systemtic Name: N-(2-adamantylideneamino)-4-[[methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzamide Openeye Name: N-(2-adamantylideneamino)-4-[[methyl(p-tolylsulfonyl)amino]methyl]benzamide CAS Name: N-(2-adamantylideneamino)-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide IUPAC Name: N-(2-adamantylideneamino)-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide Traditional Name: N-(2-adamantylideneamino)-4-[[methyl(tosyl)amino]methyl]benzamide Formula: C26H31N3O3S MolecularWeight: 465.60764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H31N3O3S/c1-17-3-9-24(10-4-17)33(31,32)29(2)16-18-5-7-21(8-6-18)26(30)28-27-25-22-12-19-11-20(14-22)15-23(25)13-19/h3-10,19-20,22-23H,11-16H2,1-2H3,(H,28,30)