butyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: butyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: butyl 1-(4-chloro-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonylisonipecotic acid butyl ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O6S/c1-2-3-10-25-16(20)12-6-8-18(9-7-12)26(23,24)13-4-5-14(17)15(11-13)19(21)22/h4-5,11-12H,2-3,6-10H2,1H3