(3-nitrophenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-nitrophenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-nitrophenyl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (3-nitrobenzyl) ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6S/c20-18-8-7-16(29(26,27)21-9-2-1-3-10-21)12-17(18)19(23)28-13-14-5-4-6-15(11-14)22(24)25/h4-8,11-12H,1-3,9-10,13H2