N-(1-adamantyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1-adamantyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1-adamantyl)-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1-adamantyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1-adamantyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(1-adamantyl)-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C23H34N2O3S MolecularWeight: 418.59266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

InChI

InChI=1S/C23H34N2O3S/c1-16-6-7-17(2)21(9-16)25(29(3,27)28)8-4-5-22(26)24-23-13-18-10-19(14-23)12-20(11-18)15-23/h6-7,9,18-20H,4-5,8,10-15H2,1-3H3,(H,24,26)