3-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenyl]-N-(5-oxidanylpentyl)propanamide

Systemtic Name: 3-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenyl]-N-(5-oxidanylpentyl)propanamide Openeye Name: 3-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenyl]-N-(5-hydroxypentyl)propanamide CAS Name: N-(5-hydroxypentyl)-3-[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenyl]propanamide IUPAC Name: 3-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenyl]-N-(5-hydroxypentyl)propanamide Traditional Name: 3-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenyl]-N-(5-hydroxypentyl)propionamide Formula: C36H43N3O5S MolecularWeight: 629.80872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)CCC(=O)NCCCCCO)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)CCC(=O)NCCCCCO)NS(=O)(=O)C

InChI

InChI=1S/C36H43N3O5S/c1-28-34(38-45(2,42)43)12-9-13-35(28)39(26-30-10-5-3-6-11-30)27-31-16-21-33(22-17-31)44-32-19-14-29(15-20-32)18-23-36(41)37-24-7-4-8-25-40/h3,5-6,9-17,19-22,38,40H,4,7-8,18,23-27H2,1-2H3,(H,37,41)