3-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[1-hydroxy-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[1-hydroxy-4-[(2-methyl-5-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[1-hydroxy-4-[(2-methyl-5-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[1-hydroxy-4-[(2-methyl-5-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)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7S2/c1-12-6-7-13(22(26)27)10-18(12)31(28,29)21-16-11-17(30-9-8-19(23)24)20(25)15-5-3-2-4-14(15)16/h2-7,10-11,21,25H,8-9H2,1H3,(H,23,24)