[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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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(=CN3)Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C18H21ClN4O4S/c1-4-7-23-16-6-5-13(28(25,26)22(2)3)9-14(16)21-17(23)11-27-18(24)15-8-12(19)10-20-15/h5-6,8-10,20H,4,7,11H2,1-3H3