(3-cyanophenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (3-cyanophenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (3-cyanophenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (3-cyanobenzyl) ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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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=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N4O4S/c1-24(2)30(27,28)17-7-8-19-18(12-17)23-20(25(19)3)9-10-21(26)29-14-16-6-4-5-15(11-16)13-22/h4-8,11-12H,9-10,14H2,1-3H3