(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H20N6O4S/c1-2-3-11-22-15(19-20-21-22)12-26-16(23)13-5-7-14(8-6-13)27(24,25)18-10-4-9-17/h5-8,18H,2-4,10-12H2,1H3