N-(2,4-dinitrophenyl)-1-methylsulfonyl-piperidin-4-amine

Systemtic Name: N-(2,4-dinitrophenyl)-1-methylsulfonyl-piperidin-4-amine Openeye Name: N-(2,4-dinitrophenyl)-1-methylsulfonyl-piperidin-4-amine CAS Name: N-(2,4-dinitrophenyl)-1-methylsulfonyl-4-piperidinamine IUPAC Name: N-(2,4-dinitrophenyl)-1-methylsulfonylpiperidin-4-amine Traditional Name: (2,4-dinitrophenyl)-(1-mesyl-4-piperidyl)amine Formula: C12H16N4O6S MolecularWeight: 344.34364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O6S/c1-23(21,22)14-6-4-9(5-7-14)13-11-3-2-10(15(17)18)8-12(11)16(19)20/h2-3,8-9,13H,4-7H2,1H3