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

Systemtic Name: N-(1-adamantyl)-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-(1-adamantyl)-2-(N-methylsulfonylanilino)butanamide CAS Name: N-(1-adamantyl)-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-(1-adamantyl)-2-(N-methylsulfonylanilino)butanamide Traditional Name: N-(1-adamantyl)-2-(N-mesylanilino)butyramide Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-3-19(23(27(2,25)26)18-7-5-4-6-8-18)20(24)22-21-12-15-9-16(13-21)11-17(10-15)14-21/h4-8,15-17,19H,3,9-14H2,1-2H3,(H,22,24)