3-(methylsulfonylamino)-3-[5-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]-1-benzofuran-2-yl]propanoic acid

Systemtic Name: 3-(methylsulfonylamino)-3-[5-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]-1-benzofuran-2-yl]propanoic acid Openeye Name: 3-(methanesulfonamido)-3-[5-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzofuran-2-yl]propanoic acid CAS Name: 3-(methanesulfonamido)-3-[5-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]-2-benzofuranyl]propanoic acid IUPAC Name: 3-(methanesulfonamido)-3-[5-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]-1-benzofuran-2-yl]propanoic acid Traditional Name: 3-[5-[3-keto-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzofuran-2-yl]-3-(methanesulfonamido)propionic acid Formula: C19H24N4O6S MolecularWeight: 436.48206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC(=O)O)C1=CC2=C(O1)C=CC(=C2)CCC(=O)NC3=NCCCN3

Isomeric SMILES

CS(=O)(=O)NC(CC(=O)O)C1=CC2=C(O1)C=CC(=C2)CCC(=O)NC3=NCCCN3

InChI

InChI=1S/C19H24N4O6S/c1-30(27,28)23-14(11-18(25)26)16-10-13-9-12(3-5-15(13)29-16)4-6-17(24)22-19-20-7-2-8-21-19/h3,5,9-10,14,23H,2,4,6-8,11H2,1H3,(H,25,26)(H2,20,21,22,24)