phenacyl (2R)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: phenacyl (2R)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: phenacyl (2R)-3-benzylsulfanyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]propanoate CAS Name: (2R)-2-[methyl-(4-nitrophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid phenacyl ester IUPAC Name: phenacyl (2R)-3-benzylsulfanyl-2-[methyl-(4-nitrophenyl)sulfonylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[methyl(nosyl)amino]propionic acid phenacyl ester Formula: C25H24N2O7S2 MolecularWeight: 528.59726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CSCC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CSCC1=CC=CC=C1)C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O7S2/c1-26(36(32,33)22-14-12-21(13-15-22)27(30)31)23(18-35-17-19-8-4-2-5-9-19)25(29)34-16-24(28)20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3/t23-/m0/s1