N,N-diethylethanamine; ethyl 2-azanyl-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate

Systemtic Name: N,N-diethylethanamine; ethyl 2-azanyl-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate Openeye Name: N,N-diethylethanamine; ethyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate CAS Name: 2-amino-3-(dimethylsulfamoyl)-5-benzimidazolecarboxylic acid ethyl ester; N,N-diethylethanamine IUPAC Name: N,N-diethylethanamine; ethyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate Traditional Name: 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylic acid ethyl ester; triethylamine Formula: C18H31N5O4S MolecularWeight: 413.53484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CCOC(=O)C1=CC2=C(C=C1)N=C(N2S(=O)(=O)N(C)C)N

Isomeric SMILES

CCN(CC)CC.CCOC(=O)C1=CC2=C(C=C1)N=C(N2S(=O)(=O)N(C)C)N

InChI

InChI=1S/C12H16N4O4S.C6H15N/c1-4-20-11(17)8-5-6-9-10(7-8)16(12(13)14-9)21(18,19)15(2)3;1-4-7(5-2)6-3/h5-7H,4H2,1-3H3,(H2,13,14);4-6H2,1-3H3