(4-oxidanylidene-1-phenyl-2,3-dihydroquinazolin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (4-oxidanylidene-1-phenyl-2,3-dihydroquinazolin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (4-oxo-1-phenyl-2,3-dihydroquinazolin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-oxo-1-phenyl-2,3-dihydroquinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1-phenyl-2,3-dihydroquinazolin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-1-phenyl-2,3-dihydroquinazolin-2-yl)methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2NC(=O)C3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2NC(=O)C3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c1-16-11-13-18(14-12-16)29(26,27)28-15-21-23-22(25)19-9-5-6-10-20(19)24(21)17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,23,25)