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

Systemtic Name: 3-[4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[1-hydroxy-4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[1-hydroxy-4-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[1-hydroxy-4-[(4-methoxy-3-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-hydroxy-4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-naphthyl]thio]propionate Formula: C20H17N2O8S2- MolecularWeight: 477.48758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O8S2/c1-30-17-7-6-12(10-16(17)22(26)27)32(28,29)21-15-11-18(31-9-8-19(23)24)20(25)14-5-3-2-4-13(14)15/h2-7,10-11,21,25H,8-9H2,1H3,(H,23,24)/p-1