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

Systemtic Name: 2-[4-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[1-hydroxy-4-(p-tolylsulfonylamino)-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-hydroxy-4-(tosylamino)-2-naphthyl]thio]propionic acid Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S2/c1-12-7-9-14(10-8-12)28(25,26)21-17-11-18(27-13(2)20(23)24)19(22)16-6-4-3-5-15(16)17/h3-11,13,21-22H,1-2H3,(H,23,24)