(phenylmethyl) 4-[6-(4-methylsulfonyl-2-nitro-phenyl)-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[6-(4-methylsulfonyl-2-nitro-phenyl)-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[6-(4-methylsulfonyl-2-nitro-phenyl)-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate CAS Name: 4-[6-(4-methylsulfonyl-2-nitrophenyl)-4H-1,3-benzodioxin-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[6-(4-methylsulfonyl-2-nitrophenyl)-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(4-mesyl-2-nitro-phenyl)-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C28H28N2O8S MolecularWeight: 552.59552

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)OC(OC3)C4CCN(CC4)C(=O)OCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)OC(OC3)C4CCN(CC4)C(=O)OCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N2O8S/c1-39(34,35)23-8-9-24(25(16-23)30(32)33)21-7-10-26-22(15-21)18-36-27(38-26)20-11-13-29(14-12-20)28(31)37-17-19-5-3-2-4-6-19/h2-10,15-16,20,27H,11-14,17-18H2,1H3