3-[4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[4-[(4-fluoro-2-methylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionic acid Formula: C20H18FNO5S2 MolecularWeight: 435.489023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FNO5S2/c1-12-10-13(21)6-7-18(12)29(26,27)22-16-11-17(28-9-8-19(23)24)20(25)15-5-3-2-4-14(15)16/h2-7,10-11,22,25H,8-9H2,1H3,(H,23,24)