(2-chloranyl-4-nitro-phenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (2-chloro-4-nitro-phenyl) ester Formula: C20H19ClN2O6S MolecularWeight: 450.89266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O6S/c21-18-14-17(23(25)26)6-7-19(18)29-20(24)16-8-11-22(12-9-16)30(27,28)13-10-15-4-2-1-3-5-15/h1-7,10,13-14,16H,8-9,11-12H2/b13-10+