(4-nitrophenyl) 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-nitrophenyl) 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-nitrophenyl) 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid (4-nitrophenyl) ester Formula: C18H17BrN2O6S MolecularWeight: 469.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN2O6S/c19-16-9-4-13(12-17(16)28(25,26)20-10-2-1-3-11-20)18(22)27-15-7-5-14(6-8-15)21(23)24/h4-9,12H,1-3,10-11H2