3-(1-adamantyl)-N-(2-chloranyl-4-cyano-phenyl)-5-methoxy-2-oxidanyl-benzenesulfonamide

Systemtic Name: 3-(1-adamantyl)-N-(2-chloranyl-4-cyano-phenyl)-5-methoxy-2-oxidanyl-benzenesulfonamide Openeye Name: 3-(1-adamantyl)-N-(2-chloro-4-cyano-phenyl)-2-hydroxy-5-methoxy-benzenesulfonamide CAS Name: 3-(1-adamantyl)-N-(2-chloro-4-cyanophenyl)-2-hydroxy-5-methoxybenzenesulfonamide IUPAC Name: 3-(1-adamantyl)-N-(2-chloro-4-cyanophenyl)-2-hydroxy-5-methoxybenzenesulfonamide Traditional Name: 3-(1-adamantyl)-N-(2-chloro-4-cyano-phenyl)-2-hydroxy-5-methoxy-benzenesulfonamide Formula: C24H25ClN2O4S MolecularWeight: 472.9843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)S(=O)(=O)NC5=C(C=C(C=C5)C#N)Cl

Isomeric SMILES

COC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)S(=O)(=O)NC5=C(C=C(C=C5)C#N)Cl

InChI

InChI=1S/C24H25ClN2O4S/c1-31-18-8-19(24-10-15-4-16(11-24)6-17(5-15)12-24)23(28)22(9-18)32(29,30)27-21-3-2-14(13-26)7-20(21)25/h2-3,7-9,15-17,27-28H,4-6,10-12H2,1H3