(4-azanylquinazolin-2-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S/c21-19-16-5-1-2-6-17(16)23-18(24-19)13-29-20(26)14-7-10-25(11-8-14)30(27,28)15-4-3-9-22-12-15/h1-6,9,12,14H,7-8,10-11,13H2,(H2,21,23,24)