cyanomethyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: cyanomethyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: cyanomethyl 1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotic acid cyanomethyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC#N)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC#N)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O7S/c19-5-10-29-18(23)14-3-6-20(7-4-14)16-2-1-15(13-17(16)22(24)25)30(26,27)21-8-11-28-12-9-21/h1-2,13-14H,3-4,6-12H2