2-[1-oxidanyl-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[1-oxidanyl-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[1-hydroxy-4-[(4-isopropylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[1-hydroxy-4-[(4-propan-2-ylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[1-hydroxy-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-hydroxy-4-(p-cumenylsulfonylamino)-2-naphthyl]thio]propionic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S2/c1-13(2)15-8-10-16(11-9-15)30(27,28)23-19-12-20(29-14(3)22(25)26)21(24)18-7-5-4-6-17(18)19/h4-14,23-24H,1-3H3,(H,25,26)