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

Systemtic Name: 2-[4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[1-hydroxy-4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[1-hydroxy-4-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[1-hydroxy-4-[(4-methoxy-3-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-hydroxy-4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-naphthyl]thio]propionic acid Formula: C20H18N2O8S2 MolecularWeight: 478.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])O

Isomeric SMILES

CC(C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])O

InChI

InChI=1S/C20H18N2O8S2/c1-11(20(24)25)31-18-10-15(13-5-3-4-6-14(13)19(18)23)21-32(28,29)12-7-8-17(30-2)16(9-12)22(26)27/h3-11,21,23H,1-2H3,(H,24,25)