3-[4-[3-(1H-imidazol-2-ylcarbonylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[4-[3-(1H-imidazol-2-ylcarbonylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[4-[3-(1H-imidazole-2-carbonylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[4-[3-[[1H-imidazol-2-yl(oxo)methyl]amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-[3-(1H-imidazole-2-carbonylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[4-[3-(1H-imidazole-2-carbonylamino)phenyl]phenyl]-2-(mesitylsulfonylamino)propionic acid Formula: C28H28N4O5S MolecularWeight: 532.61072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NC=CN4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NC=CN4)C(=O)O)C

InChI

InChI=1S/C28H28N4O5S/c1-17-13-18(2)25(19(3)14-17)38(36,37)32-24(28(34)35)15-20-7-9-21(10-8-20)22-5-4-6-23(16-22)31-27(33)26-29-11-12-30-26/h4-14,16,24,32H,15H2,1-3H3,(H,29,30)(H,31,33)(H,34,35)