N4-heptan-4-yl-6-methyl-N2-(4-methylsulfonylphenyl)-3-nitro-pyridine-2,4-diamine

Systemtic Name: N4-heptan-4-yl-6-methyl-N2-(4-methylsulfonylphenyl)-3-nitro-pyridine-2,4-diamine Openeye Name: 6-methyl-N2-(4-methylsulfonylphenyl)-3-nitro-N4-(1-propylbutyl)pyridine-2,4-diamine CAS Name: N4-heptan-4-yl-6-methyl-N2-(4-methylsulfonylphenyl)-3-nitropyridine-2,4-diamine IUPAC Name: 4-N-heptan-4-yl-6-methyl-2-N-(4-methylsulfonylphenyl)-3-nitropyridine-2,4-diamine Traditional Name: [2-(4-mesylanilino)-6-methyl-3-nitro-4-pyridyl]-(1-propylbutyl)amine Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C20H28N4O4S/c1-5-7-15(8-6-2)22-18-13-14(3)21-20(19(18)24(25)26)23-16-9-11-17(12-10-16)29(4,27)28/h9-13,15H,5-8H2,1-4H3,(H2,21,22,23)