(4-azanylquinazolin-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-25(2,3)18-8-10-19(11-9-18)34(31,32)29-14-12-17(13-15-29)24(30)33-16-22-27-21-7-5-4-6-20(21)23(26)28-22/h4-11,17H,12-16H2,1-3H3,(H2,26,27,28)