ethyl 6-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]pyridine-3-carboxylate CAS Name: 6-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]pyridine-3-carboxylate Traditional Name: 6-[2-(4-mesyl-2-nitro-anilino)ethylamino]nicotinic acid ethyl ester Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6S/c1-3-27-17(22)12-4-7-16(20-11-12)19-9-8-18-14-6-5-13(28(2,25)26)10-15(14)21(23)24/h4-7,10-11,18H,3,8-9H2,1-2H3,(H,19,20)