2,4-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]aniline

Systemtic Name: 2,4-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]aniline Openeye Name: 2,4-dinitro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]aniline CAS Name: 2,4-dinitro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]aniline IUPAC Name: 2,4-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]aniline Traditional Name: (2,4-dinitrophenyl)-(4-piperidinosulfonylbenzyl)amine Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c23-21(24)15-6-9-17(18(12-15)22(25)26)19-13-14-4-7-16(8-5-14)29(27,28)20-10-2-1-3-11-20/h4-9,12,19H,1-3,10-11,13H2