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

Systemtic Name: ethyl 3-[2-[2-(4-chlorophenyl)sulfonylethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[2-(4-chlorophenyl)sulfonylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(4-chlorophenyl)sulfonylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[2-(4-chlorophenyl)sulfonylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H20ClN3O7S3 MolecularWeight: 546.0367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O7S3/c1-2-31-19(26)9-10-24-16-8-7-15(34(22,29)30)11-17(16)32-20(24)23-18(25)12-33(27,28)14-5-3-13(21)4-6-14/h3-8,11H,2,9-10,12H2,1H3,(H2,22,29,30)