(2-chloranyl-4-nitro-phenyl) 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid (2-chloro-4-nitro-phenyl) ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN2O7S/c1-13(24)14-2-5-17(6-3-14)31(28,29)22-10-8-15(9-11-22)20(25)30-19-7-4-16(23(26)27)12-18(19)21/h2-7,12,15H,8-11H2,1H3