N-[[1-(2,4-dinitrophenyl)piperidin-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(2,4-dinitrophenyl)piperidin-3-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(2,4-dinitrophenyl)-3-piperidyl]methyl]methanesulfonamide CAS Name: N-[[1-(2,4-dinitrophenyl)-3-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(2,4-dinitrophenyl)piperidin-3-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(2,4-dinitrophenyl)-3-piperidyl]methyl]methanesulfonamide Formula: C13H18N4O6S MolecularWeight: 358.37022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NCC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O6S/c1-24(22,23)14-8-10-3-2-6-15(9-10)12-5-4-11(16(18)19)7-13(12)17(20)21/h4-5,7,10,14H,2-3,6,8-9H2,1H3