2-[1-acetyloxy-4-[(4-fluorophenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-acetyloxy-4-[(4-fluorophenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[1-acetoxy-4-[(4-fluorophenyl)sulfonylamino]-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[1-acetyloxy-4-[(4-fluorophenyl)sulfonylamino]-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[1-acetyloxy-4-[(4-fluorophenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-acetoxy-4-[(4-fluorophenyl)sulfonylamino]-2-naphthyl]thio]acetic acid Formula: C20H16FNO6S2 MolecularWeight: 449.472543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)F)SCC(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)F)SCC(=O)O

InChI

InChI=1S/C20H16FNO6S2/c1-12(23)28-20-16-5-3-2-4-15(16)17(10-18(20)29-11-19(24)25)22-30(26,27)14-8-6-13(21)7-9-14/h2-10,22H,11H2,1H3,(H,24,25)