3-(6-chloranyl-2-oxidanylidene-4-phenyl-1,3-dihydroquinazolin-4-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-4-phenyl-1,3-dihydroquinazolin-4-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(6-chloro-2-oxo-4-phenyl-1,3-dihydroquinazolin-4-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(6-chloro-2-oxo-4-phenyl-1,3-dihydroquinazolin-4-yl)propyl ester IUPAC Name: 3-(6-chloro-2-oxo-4-phenyl-1,3-dihydroquinazolin-4-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(6-chloro-2-keto-4-phenyl-1,3-dihydroquinazolin-4-yl)propyl ester Formula: C24H23ClN2O4S MolecularWeight: 470.96842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C4=CC=CC=C4

InChI

InChI=1S/C24H23ClN2O4S/c1-17-8-11-20(12-9-17)32(29,30)31-15-5-14-24(18-6-3-2-4-7-18)21-16-19(25)10-13-22(21)26-23(28)27-24/h2-4,6-13,16H,5,14-15H2,1H3,(H2,26,27,28)