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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C23H24N4O5S/c1-15(28)17-5-4-6-18(13-17)33(30,31)27-11-9-16(10-12-27)23(29)32-14-21-25-20-8-3-2-7-19(20)22(24)26-21/h2-8,13,16H,9-12,14H2,1H3,(H2,24,25,26)