3-[4-[(4-tert-butylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: 3-[4-[(4-tert-butylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[4-[(4-tert-butylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[4-[(4-tert-butylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[4-[(4-tert-butylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-[(4-tert-butylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionate Formula: C23H24NO5S2- MolecularWeight: 458.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S2/c1-23(2,3)15-8-10-16(11-9-15)31(28,29)24-19-14-20(30-13-12-21(25)26)22(27)18-7-5-4-6-17(18)19/h4-11,14,24,27H,12-13H2,1-3H3,(H,25,26)/p-1