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

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

CC(C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)O

Isomeric SMILES

C[C@H](C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC)O

InChI

InChI=1S/C21H21NO7S2/c1-12(21(24)25)30-18-11-16(14-6-4-5-7-15(14)20(18)23)22-31(26,27)19-10-13(28-2)8-9-17(19)29-3/h4-12,22-23H,1-3H3,(H,24,25)/t12-/m1/s1