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

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionic acid Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)O

InChI

InChI=1S/C21H21NO5S2/c1-12-8-9-13(2)19(10-12)29(26,27)22-17-11-18(28-14(3)21(24)25)20(23)16-7-5-4-6-15(16)17/h4-11,14,22-23H,1-3H3,(H,24,25)