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

Systemtic Name: N-[2-diethoxyphosphoryl-2-[(4-methylphenyl)sulfonylamino]ethyl]-3,5-dinitro-N-phenethyl-benzamide Openeye Name: N-[2-diethoxyphosphoryl-2-(p-tolylsulfonylamino)ethyl]-3,5-dinitro-N-phenethyl-benzamide CAS Name: N-[2-diethoxyphosphoryl-2-[(4-methylphenyl)sulfonylamino]ethyl]-3,5-dinitro-N-phenethylbenzamide IUPAC Name: N-[2-diethoxyphosphoryl-2-[(4-methylphenyl)sulfonylamino]ethyl]-3,5-dinitro-N-phenethylbenzamide Traditional Name: N-[2-diethoxyphosphoryl-2-(tosylamino)ethyl]-3,5-dinitro-N-phenethyl-benzamide Formula: C28H33N4O10PS MolecularWeight: 648.621181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CN(CCC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)(C(CN(CCC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C28H33N4O10PS/c1-4-41-43(38,42-5-2)27(29-44(39,40)26-13-11-21(3)12-14-26)20-30(16-15-22-9-7-6-8-10-22)28(33)23-17-24(31(34)35)19-25(18-23)32(36)37/h6-14,17-19,27,29H,4-5,15-16,20H2,1-3H3