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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-(N-mesyl-4-methyl-anilino)butyramide Formula: C28H36N2O3S MolecularWeight: 480.66204

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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)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)S(=O)(=O)C

InChI

InChI=1S/C28H36N2O3S/c1-4-26(30(34(3,32)33)25-11-5-19(2)6-12-25)27(31)29-24-9-7-23(8-10-24)28-16-20-13-21(17-28)15-22(14-20)18-28/h5-12,20-22,26H,4,13-18H2,1-3H3,(H,29,31)