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

Systemtic Name: ethyl 3-[2-[3-(4-methylphenyl)sulfonylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[3-(p-tolylsulfonyl)propanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[3-(4-methylphenyl)sulfonylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(3-tosylpropanoylimino)-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H25N3O7S3 MolecularWeight: 539.6448

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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)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S3/c1-3-32-21(27)10-12-25-18-9-8-17(35(23,30)31)14-19(18)33-22(25)24-20(26)11-13-34(28,29)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H2,23,30,31)