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

Systemtic Name: 2-[4-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[4-[(4-fluoro-3-methylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[4-[(4-fluoro-3-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)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18FNO5S2/c1-11-9-13(7-8-16(11)21)29(26,27)22-17-10-18(28-12(2)20(24)25)19(23)15-6-4-3-5-14(15)17/h3-10,12,22-23H,1-2H3,(H,24,25)