ethyl 4-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methylamino]benzoate Openeye Name: ethyl 4-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methylamino]benzoate CAS Name: 4-[[5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methylamino]benzoate Traditional Name: 4-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methylamino]benzoic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H28N4O4S/c1-5-13-26-20-12-11-18(31(28,29)25(3)4)14-19(20)24-21(26)15-23-17-9-7-16(8-10-17)22(27)30-6-2/h7-12,14,23H,5-6,13,15H2,1-4H3