3-[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: 3-[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionate Formula: C25H28NO5S2- MolecularWeight: 486.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-])C

InChI

InChI=1S/C25H29NO5S2/c1-15-12-17(25(3,4)5)13-22(16(15)2)33(30,31)26-20-14-21(32-11-10-23(27)28)24(29)19-9-7-6-8-18(19)20/h6-9,12-14,26,29H,10-11H2,1-5H3,(H,27,28)/p-1