N-(1-adamantyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1-adamantyl)-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1-adamantyl)-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1-adamantyl)-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(1-adamantyl)-2-(N-mesyl-4-methyl-anilino)butyramide Formula: C22H32N2O3S MolecularWeight: 404.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC12CC3CC(C1)CC(C3)C2)N(C4=CC=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC12CC3CC(C1)CC(C3)C2)N(C4=CC=C(C=C4)C)S(=O)(=O)C

InChI

InChI=1S/C22H32N2O3S/c1-4-20(24(28(3,26)27)19-7-5-15(2)6-8-19)21(25)23-22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-18,20H,4,9-14H2,1-3H3,(H,23,25)