N-[4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[5-(diethylsulfamoyl)-2-methyl-anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[5-(diethylsulfamoyl)-2-methylanilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-(diethylsulfamoyl)-2-methylanilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[5-(diethylsulfamoyl)-2-methyl-anilino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H39N3O4S MolecularWeight: 489.67056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39N3O4S/c1-4-29(5-2)34(32,33)22-9-8-18(3)23(14-22)28-24(30)7-6-10-27-25(31)26-15-19-11-20(16-26)13-21(12-19)17-26/h8-9,14,19-21H,4-7,10-13,15-17H2,1-3H3,(H,27,31)(H,28,30)