(4-azanylquinazolin-2-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylisonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O4S/c22-16-6-2-4-8-18(16)31(28,29)26-11-9-14(10-12-26)21(27)30-13-19-24-17-7-3-1-5-15(17)20(23)25-19/h1-8,14H,9-13H2,(H2,23,24,25)