(4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O6S/c1-14-6-7-15(12-18(14)31(27,28)24-8-10-29-11-9-24)21(26)30-13-19-22-17-5-3-2-4-16(17)20(25)23-19/h2-7,12H,8-11,13H2,1H3,(H,22,23,25)