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

Systemtic Name: ethyl 1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-(2-methylsulfonyl-4-nitrophenyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylsulfonyl-4-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-mesyl-4-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)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

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

InChI

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