1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C20H17N5O7S MolecularWeight: 471.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C20H17N5O7S/c1-13(18-23-24-19(32-18)14-3-7-16(8-4-14)25(27)28)31-20(26)15-5-9-17(10-6-15)33(29,30)22-12-2-11-21/h3-10,13,22H,2,12H2,1H3