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

Systemtic Name: 2-[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[1-hydroxy-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[1-hydroxy-4-[(2-methyl-5-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[1-hydroxy-4-[(2-methyl-5-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-hydroxy-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-2-naphthyl]thio]acetic acid Formula: C19H16N2O7S2 MolecularWeight: 448.46954

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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)SCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O7S2/c1-11-6-7-12(21(25)26)8-17(11)30(27,28)20-15-9-16(29-10-18(22)23)19(24)14-5-3-2-4-13(14)15/h2-9,20,24H,10H2,1H3,(H,22,23)