2-[[7-[3,5-bis(chloranyl)phenyl]-5-[(4-cyanophenyl)methyl]-5-methyl-6-oxidanylidene-imidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanoic acid

Systemtic Name: 2-[[7-[3,5-bis(chloranyl)phenyl]-5-[(4-cyanophenyl)methyl]-5-methyl-6-oxidanylidene-imidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanoic acid Openeye Name: 2-[[5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-imidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanoic acid CAS Name: 2-[[5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-3-imidazo[1,2-a]imidazolyl]sulfonylamino]propanoic acid IUPAC Name: 2-[[5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanoic acid Traditional Name: 2-[[5-(4-cyanobenzyl)-7-(3,5-dichlorophenyl)-6-keto-5-methyl-imidaz[1,2-a]imidazol-3-yl]sulfonylamino]propionic acid Formula: C23H19Cl2N5O5S MolecularWeight: 548.39846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NS(=O)(=O)C1=CN=C2N1C(C(=O)N2C3=CC(=CC(=C3)Cl)Cl)(C)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)O)NS(=O)(=O)C1=CN=C2N1C(C(=O)N2C3=CC(=CC(=C3)Cl)Cl)(C)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H19Cl2N5O5S/c1-13(20(31)32)28-36(34,35)19-12-27-22-29(18-8-16(24)7-17(25)9-18)21(33)23(2,30(19)22)10-14-3-5-15(11-26)6-4-14/h3-9,12-13,28H,10H2,1-2H3,(H,31,32)