N4-butyl-N4-ethyl-6-methyl-N2-(2-methylsulfonyl-4-propan-2-yl-phenyl)-3-nitro-pyridine-2,4-diamine

Systemtic Name: N4-butyl-N4-ethyl-6-methyl-N2-(2-methylsulfonyl-4-propan-2-yl-phenyl)-3-nitro-pyridine-2,4-diamine Openeye Name: N4-butyl-N4-ethyl-N2-(4-isopropyl-2-methylsulfonyl-phenyl)-6-methyl-3-nitro-pyridine-2,4-diamine CAS Name: N4-butyl-N4-ethyl-6-methyl-N2-(2-methylsulfonyl-4-propan-2-ylphenyl)-3-nitropyridine-2,4-diamine IUPAC Name: 4-N-butyl-4-N-ethyl-6-methyl-2-N-(2-methylsulfonyl-4-propan-2-ylphenyl)-3-nitropyridine-2,4-diamine Traditional Name: butyl-ethyl-[2-(4-isopropyl-2-mesyl-anilino)-6-methyl-3-nitro-4-pyridyl]amine Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)S(=O)(=O)C)C

Isomeric SMILES

CCCCN(CC)C1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C22H32N4O4S/c1-7-9-12-25(8-2)19-13-16(5)23-22(21(19)26(27)28)24-18-11-10-17(15(3)4)14-20(18)31(6,29)30/h10-11,13-15H,7-9,12H2,1-6H3,(H,23,24)