1,3-benzothiazol-2-ylmethyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O4S2/c1-24(2)31(27,28)14-8-9-17-16(12-14)22-19(25(17)3)10-11-21(26)29-13-20-23-15-6-4-5-7-18(15)30-20/h4-9,12H,10-11,13H2,1-3H3