(4-azanylquinazolin-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C24H28N4O4S MolecularWeight: 468.56852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-16(2)17-7-9-19(10-8-17)33(30,31)28-13-11-18(12-14-28)24(29)32-15-22-26-21-6-4-3-5-20(21)23(25)27-22/h3-10,16,18H,11-15H2,1-2H3,(H2,25,26,27)