methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H15FN2O6S3 MolecularWeight: 458.504203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)S(=O)(=O)C)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN2O6S3/c1-26-16(21)10-20-14-8-7-13(28(2,22)23)9-15(14)27-17(20)19-29(24,25)12-5-3-11(18)4-6-12/h3-9H,10H2,1-2H3/b19-17-