(4-azanylquinazolin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C17H22N4O4S/c1-2-26(23,24)21-9-7-12(8-10-21)17(22)25-11-15-19-14-6-4-3-5-13(14)16(18)20-15/h3-6,12H,2,7-11H2,1H3,(H2,18,19,20)