benzene; [8-methoxy-3-(2-methoxycarbonylphenyl)-4-oxidanylidene-quinazolin-2-yl]methanesulfonic acid

Systemtic Name: benzene; [8-methoxy-3-(2-methoxycarbonylphenyl)-4-oxidanylidene-quinazolin-2-yl]methanesulfonic acid Openeye Name: benzene; [8-methoxy-3-(2-methoxycarbonylphenyl)-4-oxo-quinazolin-2-yl]methanesulfonic acid CAS Name: benzene; [8-methoxy-3-(2-methoxycarbonylphenyl)-4-oxo-2-quinazolinyl]methanesulfonic acid IUPAC Name: benzene; [8-methoxy-3-(2-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methanesulfonic acid Traditional Name: benzene; [3-(2-carbomethoxyphenyl)-4-keto-8-methoxy-quinazolin-2-yl]methanesulfonic acid Formula: C24H22N2O7S MolecularWeight: 482.50568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(N(C2=O)C3=CC=CC=C3C(=O)OC)CS(=O)(=O)O.C1=CC=CC=C1

Isomeric SMILES

COC1=CC=CC2=C1N=C(N(C2=O)C3=CC=CC=C3C(=O)OC)CS(=O)(=O)O.C1=CC=CC=C1

InChI

InChI=1S/C18H16N2O7S.C6H6/c1-26-14-9-5-7-12-16(14)19-15(10-28(23,24)25)20(17(12)21)13-8-4-3-6-11(13)18(22)27-2;1-2-4-6-5-3-1/h3-9H,10H2,1-2H3,(H,23,24,25);1-6H