[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-(hydroxymethyl)benzoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-(hydroxymethyl)benzoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-4-11-24-19-10-9-17(30(27,28)23(2)3)12-18(19)22-20(24)14-29-21(26)16-7-5-15(13-25)6-8-16/h5-10,12,25H,4,11,13-14H2,1-3H3