(3-nitrophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3-nitrophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (3-nitrophenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (3-nitrobenzyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c22-19(27-14-15-5-4-6-17(13-15)21(23)24)16-7-9-18(10-8-16)28(25,26)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12,14H2