2,6-dimethyl-1-[4-(methylsulfonylamino)butoxy]-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-1-[4-(methylsulfonylamino)butoxy]-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-[4-(methanesulfonamido)butoxy]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1-[4-(methanesulfonamido)butoxy]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1-[4-(methanesulfonamido)butoxy]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-[4-(methanesulfonamido)butoxy]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid Formula: C20H25N3O9S MolecularWeight: 483.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1OCCCCNS(=O)(=O)C)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1OCCCCNS(=O)(=O)C)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H25N3O9S/c1-12-16(19(24)25)18(14-7-6-8-15(11-14)23(28)29)17(20(26)27)13(2)22(12)32-10-5-4-9-21-33(3,30)31/h6-8,11,18,21H,4-5,9-10H2,1-3H3,(H,24,25)(H,26,27)