3-[1-oxidanyl-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-oxidanyl-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthyl]thio]propionic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)O)C

InChI

InChI=1S/C22H23NO5S2/c1-13-10-15(3)20(11-14(13)2)30(27,28)23-18-12-19(29-9-8-21(24)25)22(26)17-7-5-4-6-16(17)18/h4-7,10-12,23,26H,8-9H2,1-3H3,(H,24,25)