N-[(1R)-2-diethoxyphosphoryl-2-iodanyl-1-(4-nitrophenyl)ethyl]-2,4,6-trimethyl-benzenesulfinamide

Systemtic Name: N-[(1R)-2-diethoxyphosphoryl-2-iodanyl-1-(4-nitrophenyl)ethyl]-2,4,6-trimethyl-benzenesulfinamide Openeye Name: N-[(1R)-2-diethoxyphosphoryl-2-iodo-1-(4-nitrophenyl)ethyl]-2,4,6-trimethyl-benzenesulfinamide CAS Name: N-[(1R)-2-diethoxyphosphoryl-2-iodo-1-(4-nitrophenyl)ethyl]-2,4,6-trimethylbenzenesulfinamide IUPAC Name: N-[(1R)-2-diethoxyphosphoryl-2-iodo-1-(4-nitrophenyl)ethyl]-2,4,6-trimethylbenzenesulfinamide Traditional Name: N-[(1R)-2-diethoxyphosphoryl-2-iodo-1-(4-nitrophenyl)ethyl]-2,4,6-trimethyl-benzenesulfinamide Formula: C21H28IN2O6PS MolecularWeight: 594.400051

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(C1=CC=C(C=C1)[N+](=O)[O-])NS(=O)C2=C(C=C(C=C2C)C)C)I)OCC

Isomeric SMILES

CCOP(=O)(C([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])N[S@@](=O)C2=C(C=C(C=C2C)C)C)I)OCC

InChI

InChI=1S/C21H28IN2O6PS/c1-6-29-31(27,30-7-2)21(22)19(17-8-10-18(11-9-17)24(25)26)23-32(28)20-15(4)12-14(3)13-16(20)5/h8-13,19,21,23H,6-7H2,1-5H3/t19-,21?,32+/m1/s1