ethyl 1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-mesyl-2-nitro-phenyl)isonipecotic acid ethyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-3-23-15(18)11-6-8-16(9-7-11)13-5-4-12(24(2,21)22)10-14(13)17(19)20/h4-5,10-11H,3,6-9H2,1-2H3