2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-veratryl-acetamide Formula: C28H36N2O5S MolecularWeight: 512.66084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5S/c1-34-25-9-4-19(13-26(25)35-2)17-29-27(31)18-30(36(3,32)33)24-7-5-23(6-8-24)28-14-20-10-21(15-28)12-22(11-20)16-28/h4-9,13,20-22H,10-12,14-18H2,1-3H3,(H,29,31)