(4-nitrophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c23-20(28-15-17-4-8-18(9-5-17)22(24)25)14-16-6-10-19(11-7-16)29(26,27)21-12-2-1-3-13-21/h4-11H,1-3,12-15H2