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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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