2-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[1-hydroxy-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[1-hydroxy-4-[(4-methyl-3-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[1-hydroxy-4-[(4-methyl-3-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-hydroxy-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-naphthyl]thio]propionic acid Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7S2/c1-11-7-8-13(9-17(11)22(26)27)31(28,29)21-16-10-18(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)