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

Systemtic Name: N2-(2-bromanyl-4-propan-2-yl-phenyl)-N4-ethyl-6-methyl-N4-(3-methylsulfonylpropyl)-3-nitro-pyridine-2,4-diamine Openeye Name: N2-(2-bromo-4-isopropyl-phenyl)-N4-ethyl-6-methyl-N4-(3-methylsulfonylpropyl)-3-nitro-pyridine-2,4-diamine CAS Name: N2-(2-bromo-4-propan-2-ylphenyl)-N4-ethyl-6-methyl-N4-(3-methylsulfonylpropyl)-3-nitropyridine-2,4-diamine IUPAC Name: 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-ethyl-6-methyl-4-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,4-diamine Traditional Name: [2-(2-bromo-4-isopropyl-anilino)-6-methyl-3-nitro-4-pyridyl]-ethyl-(3-mesylpropyl)amine Formula: C21H29BrN4O4S MolecularWeight: 513.44836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)C)C1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)Br)C

Isomeric SMILES

CCN(CCCS(=O)(=O)C)C1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)Br)C

InChI

InChI=1S/C21H29BrN4O4S/c1-6-25(10-7-11-31(5,29)30)19-12-15(4)23-21(20(19)26(27)28)24-18-9-8-16(14(2)3)13-17(18)22/h8-9,12-14H,6-7,10-11H2,1-5H3,(H,23,24)