(2S)-2-acetamido-3-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-[[4-(4-fluoro-2-methyl-phenyl)sulfonylimino-1-oxo-2-naphthyl]sulfanyl]propanoate CAS Name: (2S)-2-acetamido-3-[[4-(4-fluoro-2-methylphenyl)sulfonylimino-1-oxo-2-naphthalenyl]thio]propanoate IUPAC Name: (2S)-2-acetamido-3-[4-(4-fluoro-2-methylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[[4-(4-fluoro-2-methyl-phenyl)sulfonylimino-1-keto-2-naphthyl]thio]propionate Formula: C22H18FN2O6S2- MolecularWeight: 489.516523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(C(=O)[O-])NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SC[C@H](C(=O)[O-])NC(=O)C

InChI

InChI=1S/C22H19FN2O6S2/c1-12-9-14(23)7-8-20(12)33(30,31)25-17-10-19(21(27)16-6-4-3-5-15(16)17)32-11-18(22(28)29)24-13(2)26/h3-10,18H,11H2,1-2H3,(H,24,26)(H,28,29)/p-1/t18-/m1/s1