2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C16H20N4O5S MolecularWeight: 380.4188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O5S/c1-26(22,23)20(13-3-4-14-15(9-13)25-12-24-14)10-16(21)18-5-2-7-19-8-6-17-11-19/h3-4,6,8-9,11H,2,5,7,10,12H2,1H3,(H,18,21)