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

Systemtic Name: 2-[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionic acid Formula: C25H29NO5S2 MolecularWeight: 487.63146

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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)SC(C)C(=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)SC(C)C(=O)O)C

InChI

InChI=1S/C25H29NO5S2/c1-14-11-17(25(4,5)6)12-22(15(14)2)33(30,31)26-20-13-21(32-16(3)24(28)29)23(27)19-10-8-7-9-18(19)20/h7-13,16,26-27H,1-6H3,(H,28,29)