(4-azanylquinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

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