(2R)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: (2R)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: (2R)-2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: (2R)-2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]propanoic acid IUPAC Name: (2R)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]propionic acid Formula: C13H16N2O7S2 MolecularWeight: 376.40534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7S2/c1-9(13(16)17)23-12-3-2-10(8-11(12)15(18)19)24(20,21)14-4-6-22-7-5-14/h2-3,8-9H,4-7H2,1H3,(H,16,17)/t9-/m1/s1