2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C26H31ClN2O4S MolecularWeight: 503.05334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN2O4S/c1-33-24-8-5-21(27)12-23(24)28-25(30)16-29(34(2,31)32)22-6-3-20(4-7-22)26-13-17-9-18(14-26)11-19(10-17)15-26/h3-8,12,17-19H,9-11,13-16H2,1-2H3,(H,28,30)