3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl benzenesulfonate

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl benzenesulfonate Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)propyl benzenesulfonate CAS Name: benzenesulfonic acid 3-(2-methyl-4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)propyl benzenesulfonate Traditional Name: benzenesulfonic acid 3-(4-keto-2-methyl-quinazolin-3-yl)propyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCOS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCOS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c1-14-19-17-11-6-5-10-16(17)18(21)20(14)12-7-13-24-25(22,23)15-8-3-2-4-9-15/h2-6,8-11H,7,12-13H2,1H3