2,6-dimethyl-4-(3-methylsulfonylphenyl)-5-[4-[(2-oxidanyl-3-phenoxy-propyl)amino]butylperoxycarbonyl]pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-methylsulfonylphenyl)-5-[4-[(2-oxidanyl-3-phenoxy-propyl)amino]butylperoxycarbonyl]pyridine-3-carboxylic acid Openeye Name: 5-[4-[(2-hydroxy-3-phenoxy-propyl)amino]butylperoxycarbonyl]-2,6-dimethyl-4-(3-methylsulfonylphenyl)pyridine-3-carboxylic acid CAS Name: 5-[4-[(2-hydroxy-3-phenoxypropyl)amino]butyldioxy-oxomethyl]-2,6-dimethyl-4-(3-methylsulfonylphenyl)-3-pyridinecarboxylic acid IUPAC Name: 5-[4-[(2-hydroxy-3-phenoxypropyl)amino]butylperoxycarbonyl]-2,6-dimethyl-4-(3-methylsulfonylphenyl)pyridine-3-carboxylic acid Traditional Name: 5-[4-[(2-hydroxy-3-phenoxy-propyl)amino]butylperoxycarbonyl]-4-(3-mesylphenyl)-2,6-dimethyl-nicotinic acid Formula: C29H34N2O9S MolecularWeight: 586.65326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)S(=O)(=O)C)C(=O)OOCCCCNCC(COC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)S(=O)(=O)C)C(=O)OOCCCCNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C29H34N2O9S/c1-19-25(28(33)34)27(21-10-9-13-24(16-21)41(3,36)37)26(20(2)31-19)29(35)40-39-15-8-7-14-30-17-22(32)18-38-23-11-5-4-6-12-23/h4-6,9-13,16,22,30,32H,7-8,14-15,17-18H2,1-3H3,(H,33,34)