2-[[4-(1-adamantyl)-2-methylsulfonyl-phenyl]amino]-N-(2,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)-2-methylsulfonyl-phenyl]amino]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-2-methylsulfonyl-anilino]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-2-methylsulfonylanilino]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-2-methylsulfonylanilino]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-2-mesyl-anilino]-N-(2,4-dimethoxyphenyl)acetamide Formula: C27H34N2O5S MolecularWeight: 498.63426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CNC2=C(C=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CNC2=C(C=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C)OC

InChI

InChI=1S/C27H34N2O5S/c1-33-21-5-7-22(24(12-21)34-2)29-26(30)16-28-23-6-4-20(11-25(23)35(3,31)32)27-13-17-8-18(14-27)10-19(9-17)15-27/h4-7,11-12,17-19,28H,8-10,13-16H2,1-3H3,(H,29,30)