methyl 3-[2-[2-(4-fluorophenyl)sulfonylethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(4-fluorophenyl)sulfonylethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(4-fluorophenyl)sulfonylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-fluorophenyl)sulfonylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[2-(4-fluorophenyl)sulfonylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H18FN3O7S3 MolecularWeight: 515.555523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O7S3/c1-30-18(25)8-9-23-15-7-6-14(33(21,28)29)10-16(15)31-19(23)22-17(24)11-32(26,27)13-4-2-12(20)3-5-13/h2-7,10H,8-9,11H2,1H3,(H2,21,28,29)