2-oxidanylidenepropyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: acetonyl 1-(4-chloro-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonylisonipecotic acid acetonyl ester Formula: C15H17ClN2O7S MolecularWeight: 404.82268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN2O7S/c1-10(19)9-25-15(20)11-4-6-17(7-5-11)26(23,24)12-2-3-13(16)14(8-12)18(21)22/h2-3,8,11H,4-7,9H2,1H3