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

Systemtic Name: 3-[4-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[4-[(4-fluoro-3-methylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionate Formula: C20H17FNO5S2- MolecularWeight: 434.481083

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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)SCCC(=O)[O-])F

Isomeric SMILES

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

InChI

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