(5-nitroquinolin-8-yl) 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: (5-nitroquinolin-8-yl) 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: (5-nitro-8-quinolyl) 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid (5-nitro-8-quinolinyl) ester IUPAC Name: (5-nitroquinolin-8-yl) 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid (5-nitro-8-quinolyl) ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)OC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C(=O)OC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O6S/c24-20(21(12-4-5-13-21)30(27,28)15-7-2-1-3-8-15)29-18-11-10-17(23(25)26)16-9-6-14-22-19(16)18/h1-3,6-11,14H,4-5,12-13H2