N-[2-tert-butyl-5-(methylsulfonylaminomethyl)phenyl]-3-(2,4-dimethoxyphenyl)octanamide

Systemtic Name: N-[2-tert-butyl-5-(methylsulfonylaminomethyl)phenyl]-3-(2,4-dimethoxyphenyl)octanamide Openeye Name: N-[2-tert-butyl-5-(methanesulfonamidomethyl)phenyl]-3-(2,4-dimethoxyphenyl)octanamide CAS Name: N-[2-tert-butyl-5-(methanesulfonamidomethyl)phenyl]-3-(2,4-dimethoxyphenyl)octanamide IUPAC Name: N-[2-tert-butyl-5-(methanesulfonamidomethyl)phenyl]-3-(2,4-dimethoxyphenyl)octanamide Traditional Name: N-[2-tert-butyl-5-(methanesulfonamidomethyl)phenyl]-3-(2,4-dimethoxyphenyl)caprylamide Formula: C28H42N2O5S MolecularWeight: 518.70848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CNS(=O)(=O)C)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CNS(=O)(=O)C)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C28H42N2O5S/c1-8-9-10-11-21(23-14-13-22(34-5)18-26(23)35-6)17-27(31)30-25-16-20(19-29-36(7,32)33)12-15-24(25)28(2,3)4/h12-16,18,21,29H,8-11,17,19H2,1-7H3,(H,30,31)