(2-nitrophenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2-nitrophenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (2-nitrophenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2-nitrobenzyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c22-19(27-14-16-7-2-3-10-18(16)21(23)24)15-8-6-9-17(13-15)28(25,26)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12,14H2