[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-methylbenzoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-methylbenzoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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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=CC(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-5-11-24-19-10-9-17(29(26,27)23(3)4)13-18(19)22-20(24)14-28-21(25)16-8-6-7-15(2)12-16/h6-10,12-13H,5,11,14H2,1-4H3