[(2R,3R)-3-[methoxymethyl-(2-nitrophenyl)sulfonyl-amino]-2-methylsulfonyloxy-4-phenylsulfanyl-butyl] ethanoate

Systemtic Name: [(2R,3R)-3-[methoxymethyl-(2-nitrophenyl)sulfonyl-amino]-2-methylsulfonyloxy-4-phenylsulfanyl-butyl] ethanoate Openeye Name: [(2R,3R)-3-[methoxymethyl-(2-nitrophenyl)sulfonyl-amino]-2-methylsulfonyloxy-4-phenylsulfanyl-butyl] acetate CAS Name: acetic acid [(2R,3R)-3-[methoxymethyl-(2-nitrophenyl)sulfonylamino]-2-methylsulfonyloxy-4-(phenylthio)butyl] ester IUPAC Name: [(2R,3R)-3-[methoxymethyl-(2-nitrophenyl)sulfonylamino]-2-methylsulfonyloxy-4-phenylsulfanylbutyl] acetate Traditional Name: acetic acid [(2R,3R)-3-[methoxymethyl-(2-nitrophenyl)sulfonyl-amino]-2-methylsulfonyloxy-4-(phenylthio)butyl] ester Formula: C21H26N2O10S3 MolecularWeight: 562.63354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(CSC1=CC=CC=C1)N(COC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]([C@H](CSC1=CC=CC=C1)N(COC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C21H26N2O10S3/c1-16(24)32-13-20(33-35(3,27)28)19(14-34-17-9-5-4-6-10-17)22(15-31-2)36(29,30)21-12-8-7-11-18(21)23(25)26/h4-12,19-20H,13-15H2,1-3H3/t19-,20-/m0/s1