[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 4-methylsulfonylbenzoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O6S2/c1-5-23-18-11-10-16(31(27,28)22(2)3)12-17(18)21-19(23)13-29-20(24)14-6-8-15(9-7-14)30(4,25)26/h6-12H,5,13H2,1-4H3