N-[(1R,2R)-2-chloranyl-2-dimethoxyphosphoryl-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(1R,2R)-2-chloranyl-2-dimethoxyphosphoryl-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1R,2R)-2-chloro-2-dimethoxyphosphoryl-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfinamide CAS Name: N-[(1R,2R)-2-chloro-2-dimethoxyphosphoryl-1-(4-nitrophenyl)ethyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(1R,2R)-2-chloro-2-dimethoxyphosphoryl-1-(4-nitrophenyl)ethyl]-4-methylbenzenesulfinamide Traditional Name: N-[(1R,2R)-2-chloro-2-dimethoxyphosphoryl-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfinamide Formula: C17H20ClN2O6PS MolecularWeight: 446.842261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])C(P(=O)(OC)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@H](C2=CC=C(C=C2)[N+](=O)[O-])[C@H](P(=O)(OC)OC)Cl

InChI

InChI=1S/C17H20ClN2O6PS/c1-12-4-10-15(11-5-12)28(24)19-16(17(18)27(23,25-2)26-3)13-6-8-14(9-7-13)20(21)22/h4-11,16-17,19H,1-3H3/t16-,17+,28+/m1/s1