3-[4-[(3-nitrophenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-[(3-nitrophenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]-2-naphthyl]thio]propionic acid Formula: C19H16N2O7S2 MolecularWeight: 448.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)O)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)O)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7S2/c22-18(23)8-9-29-17-11-16(14-6-1-2-7-15(14)19(17)24)20-30(27,28)13-5-3-4-12(10-13)21(25)26/h1-7,10-11,20,24H,8-9H2,(H,22,23)