2-[4-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4-propan-2-yl-imidazol-2-yl]-5-(phenylsulfonylmethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[4-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4-propan-2-yl-imidazol-2-yl]-5-(phenylsulfonylmethyl)pyridine-3-carboxylic acid Openeye Name: 5-(benzenesulfonylmethyl)-2-(1-benzoyl-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: 5-(benzenesulfonylmethyl)-2-(1-benzoyl-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-3-pyridinecarboxylic acid IUPAC Name: 5-(benzenesulfonylmethyl)-2-(1-benzoyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: 2-(1-benzoyl-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-(besylmethyl)nicotinic acid Formula: C27H25N3O6S MolecularWeight: 519.5689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)O)CS(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)O)CS(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O6S/c1-17(2)27(3)26(34)30(24(31)19-10-6-4-7-11-19)23(29-27)22-21(25(32)33)14-18(15-28-22)16-37(35,36)20-12-8-5-9-13-20/h4-15,17H,16H2,1-3H3,(H,32,33)