N-[2-diethoxyphosphoryl-2-[(4-methylphenyl)sulfonylamino]ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-diethoxyphosphoryl-2-[(4-methylphenyl)sulfonylamino]ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-diethoxyphosphoryl-2-(p-tolylsulfonylamino)ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-diethoxyphosphoryl-2-[(4-methylphenyl)sulfonylamino]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-diethoxyphosphoryl-2-[(4-methylphenyl)sulfonylamino]ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-diethoxyphosphoryl-2-(tosylamino)ethyl]-3,5-dinitro-benzamide Formula: C20H25N4O10PS MolecularWeight: 544.472061

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOP(=O)(C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C20H25N4O10PS/c1-4-33-35(30,34-5-2)19(22-36(31,32)18-8-6-14(3)7-9-18)13-21-20(25)15-10-16(23(26)27)12-17(11-15)24(28)29/h6-12,19,22H,4-5,13H2,1-3H3,(H,21,25)