(4-azanylquinazolin-2-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S/c22-20-16-10-4-5-11-17(16)23-19(24-20)14-29-21(26)18-12-6-7-13-25(18)30(27,28)15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2,(H2,22,23,24)