ethyl (3S)-1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylnipecotic acid ethyl ester Formula: C15H19ClN2O6S MolecularWeight: 390.83916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O6S/c1-3-24-15(19)11-5-4-6-17(9-11)25(22,23)12-7-13(16)10(2)14(8-12)18(20)21/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1