(3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H23N3O6S MolecularWeight: 457.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O6S/c26-21(8-9-24-16-23-20-7-2-1-6-19(20)22(24)27)31-15-17-4-3-5-18(14-17)32(28,29)25-10-12-30-13-11-25/h1-7,14,16H,8-13,15H2