N-(3-diethoxyphosphorylprop-2-ynyl)-2-nitro-N-phenylmethoxy-benzenesulfonamide

Systemtic Name: N-(3-diethoxyphosphorylprop-2-ynyl)-2-nitro-N-phenylmethoxy-benzenesulfonamide Openeye Name: N-benzyloxy-N-(3-diethoxyphosphorylprop-2-ynyl)-2-nitro-benzenesulfonamide CAS Name: N-(3-diethoxyphosphorylprop-2-ynyl)-2-nitro-N-phenylmethoxybenzenesulfonamide IUPAC Name: N-(3-diethoxyphosphorylprop-2-ynyl)-2-nitro-N-phenylmethoxybenzenesulfonamide Traditional Name: N-benzoxy-N-(3-diethoxyphosphorylprop-2-ynyl)-2-nitro-benzenesulfonamide Formula: C20H23N2O8PS MolecularWeight: 482.443981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C#CCN(OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C#CCN(OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCC

InChI

InChI=1S/C20H23N2O8PS/c1-3-29-31(25,30-4-2)16-10-15-21(28-17-18-11-6-5-7-12-18)32(26,27)20-14-9-8-13-19(20)22(23)24/h5-9,11-14H,3-4,15,17H2,1-2H3