ethyl (3S)-1-(4-methyl-3-nitro-phenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-methyl-3-nitro-phenyl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-methyl-3-nitro-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-methyl-3-nitrophenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-methyl-3-nitro-phenyl)sulfonylnipecotic acid ethyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-3-23-15(18)12-5-4-8-16(10-12)24(21,22)13-7-6-11(2)14(9-13)17(19)20/h6-7,9,12H,3-5,8,10H2,1-2H3/t12-/m0/s1