N-[4-(1-adamantyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C29H38N2O3S MolecularWeight: 494.68862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)N(C5=CC(=C(C=C5)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)N(C5=CC(=C(C=C5)C)C)S(=O)(=O)C

InChI

InChI=1S/C29H38N2O3S/c1-5-27(31(35(4,33)34)26-11-6-19(2)20(3)12-26)28(32)30-25-9-7-24(8-10-25)29-16-21-13-22(17-29)15-23(14-21)18-29/h6-12,21-23,27H,5,13-18H2,1-4H3,(H,30,32)