methyl 6-[2-(methylsulfonylamino)phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(methylsulfonylamino)phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(methanesulfonamido)phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate CAS Name: 6-[[2-(methanesulfonamido)phenyl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(methanesulfonamido)phenyl]sulfanyl-5-nitropyridine-3-carboxylate Traditional Name: 6-[[2-(methanesulfonamido)phenyl]thio]-5-nitro-nicotinic acid methyl ester Formula: C14H13N3O6S2 MolecularWeight: 383.39952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S2/c1-23-14(18)9-7-11(17(19)20)13(15-8-9)24-12-6-4-3-5-10(12)16-25(2,21)22/h3-8,16H,1-2H3