methyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(2-keto-2-piperidino-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H22BrN3O6S2 MolecularWeight: 532.42848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3

InChI

InChI=1S/C19H22BrN3O6S2/c1-29-18(26)10-23-14-6-5-13(20)9-15(14)30-19(23)21-16(24)11-31(27,28)12-17(25)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8,10-12H2,1H3