(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21FN2O8S MolecularWeight: 480.463443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2O8S/c22-17-1-3-19(4-2-17)33(28,29)23-7-5-14(6-8-23)21(25)31-12-16-10-18(24(26)27)9-15-11-30-13-32-20(15)16/h1-4,9-10,14H,5-8,11-13H2