4-[3-(3,5-dimethyl-4-sulfamoyl-phenyl)-1-adamantyl]-2,6-dimethyl-benzenesulfonamide

Systemtic Name: 4-[3-(3,5-dimethyl-4-sulfamoyl-phenyl)-1-adamantyl]-2,6-dimethyl-benzenesulfonamide Openeye Name: 4-[3-(3,5-dimethyl-4-sulfamoyl-phenyl)-1-adamantyl]-2,6-dimethyl-benzenesulfonamide CAS Name: 4-[3-(3,5-dimethyl-4-sulfamoylphenyl)-1-adamantyl]-2,6-dimethylbenzenesulfonamide IUPAC Name: 4-[3-(3,5-dimethyl-4-sulfamoylphenyl)-1-adamantyl]-2,6-dimethylbenzenesulfonamide Traditional Name: 4-[3-(3,5-dimethyl-4-sulfamoyl-phenyl)-1-adamantyl]-2,6-dimethyl-benzenesulfonamide Formula: C26H34N2O4S2 MolecularWeight: 502.68916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N)C)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C(=C5)C)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N)C)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C(=C5)C)S(=O)(=O)N)C

InChI

InChI=1S/C26H34N2O4S2/c1-15-5-21(6-16(2)23(15)33(27,29)30)25-10-19-9-20(11-25)13-26(12-19,14-25)22-7-17(3)24(18(4)8-22)34(28,31)32/h5-8,19-20H,9-14H2,1-4H3,(H2,27,29,30)(H2,28,31,32)