3-[4-[(2,5-dimethoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-[(2,5-dimethoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[4-[(2,5-dimethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[4-[(2,5-dimethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[4-[(2,5-dimethoxyphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-[(2,5-dimethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionic acid Formula: C21H21NO7S2 MolecularWeight: 463.52394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)O

InChI

InChI=1S/C21H21NO7S2/c1-28-13-7-8-17(29-2)19(11-13)31(26,27)22-16-12-18(30-10-9-20(23)24)21(25)15-6-4-3-5-14(15)16/h3-8,11-12,22,25H,9-10H2,1-2H3,(H,23,24)