[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 1-benzothiophene-2-carboxylate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 1-benzothiophene-2-carboxylate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O4S2/c1-4-11-25-18-10-9-16(31(27,28)24(2)3)13-17(18)23-21(25)14-29-22(26)20-12-15-7-5-6-8-19(15)30-20/h5-10,12-13H,4,11,14H2,1-3H3