(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H19ClN4O7S MolecularWeight: 506.91616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN4O7S/c22-17-7-6-16(26(28)29)12-18(17)34(30,31)25-10-8-15(9-11-25)21(27)32-13-19-23-24-20(33-19)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2