N-(3-imidazol-1-ylpropyl)-2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]ethanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]ethanamide Openeye Name: 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]acetamide IUPAC Name: 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[4-[benzyl(mesyl)amino]phenoxy]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NCCCN3C=CN=C3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C22H26N4O4S/c1-31(28,29)26(16-19-6-3-2-4-7-19)20-8-10-21(11-9-20)30-17-22(27)24-12-5-14-25-15-13-23-18-25/h2-4,6-11,13,15,18H,5,12,14,16-17H2,1H3,(H,24,27)