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

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-2,3-dihydroquinazolin-2-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(4-oxo-1-phenyl-2,3-dihydroquinazolin-2-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-oxo-1-phenyl-2,3-dihydroquinazolin-2-yl)propyl ester IUPAC Name: 3-(4-oxo-1-phenyl-2,3-dihydroquinazolin-2-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-keto-1-phenyl-2,3-dihydroquinazolin-2-yl)propyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2NC(=O)C3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2NC(=O)C3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4S/c1-18-13-15-20(16-14-18)31(28,29)30-17-7-12-23-25-24(27)21-10-5-6-11-22(21)26(23)19-8-3-2-4-9-19/h2-6,8-11,13-16,23H,7,12,17H2,1H3,(H,25,27)