(2R)-2-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: (2R)-2-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: (2R)-2-[[1-hydroxy-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoate CAS Name: (2R)-2-[[1-hydroxy-4-[(2-methyl-5-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]propanoate IUPAC Name: (2R)-2-[1-hydroxy-4-[(2-methyl-5-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[1-hydroxy-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-2-naphthyl]thio]propionate Formula: C20H17N2O7S2- MolecularWeight: 461.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)S[C@H](C)C(=O)[O-]

InChI

InChI=1S/C20H18N2O7S2/c1-11-7-8-13(22(26)27)9-18(11)31(28,29)21-16-10-17(30-12(2)20(24)25)19(23)15-6-4-3-5-14(15)16/h3-10,12,21,23H,1-2H3,(H,24,25)/p-1/t12-/m1/s1