cyanomethyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: cyanomethyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: cyanomethyl 1-(4-chloro-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonylisonipecotic acid cyanomethyl ester Formula: C14H14ClN3O6S MolecularWeight: 387.79546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O6S/c15-12-2-1-11(9-13(12)18(20)21)25(22,23)17-6-3-10(4-7-17)14(19)24-8-5-16/h1-2,9-10H,3-4,6-8H2