1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-quinolin-2-yl-propane-1,3-dione

Systemtic Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-quinolin-2-yl-propane-1,3-dione Openeye Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(2-quinolyl)propane-1,3-dione CAS Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-(2-quinolinyl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-quinolin-2-ylpropane-1,3-dione Traditional Name: 1-cyclopropyl-3-(4-mesyl-2-nitro-phenyl)-2-(2-quinolyl)propane-1,3-dione Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC3=CC=CC=C3C=C2)C(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC3=CC=CC=C3C=C2)C(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6S/c1-31(29,30)15-9-10-16(19(12-15)24(27)28)22(26)20(21(25)14-6-7-14)18-11-8-13-4-2-3-5-17(13)23-18/h2-5,8-12,14,20H,6-7H2,1H3