(4-azanylquinazolin-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C23H26N4O5S/c1-2-31-17-7-9-18(10-8-17)33(29,30)27-13-11-16(12-14-27)23(28)32-15-21-25-20-6-4-3-5-19(20)22(24)26-21/h3-10,16H,2,11-15H2,1H3,(H2,24,25,26)